benzyl (2S)-3-(1H-indol-3-yl)-2-(2-methylpropanoylamino)propanoate;tert-butyl (3R)-3-[(2-methylpropanoylamino)methyl]piperidine-1-carboxylate;tert-butyl (2S)-2-[(2-methylpropanoylamino)methyl]pyrrolidine-1-carboxylate;tert-butyl (3R)-3-[(2-methylpropanoylamino)methyl]pyrrolidine-1-carboxylate;N-(cyclohexylmethyl)-2-methylpropanamide;N-(cyclopentylmethyl)-2-methylpropanamide;(2S)-3-(1H-indol-3-yl)-2-(2-methylpropanoylamino)propanoate;2-methyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide;bis(2-methyl-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]propanamide);2-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]propanamide

C141H241N20O21- — CID 160801225

IUPACbenzyl (2S)-3-(1H-indol-3-yl)-2-(2-methylpropanoylamino)propanoate;tert-butyl (3R)-3-[(2-methylpropanoylamino)methyl]piperidine-1-carboxylate;tert-butyl (2S)-2-[(2-methylpropanoylamino)methyl]pyrrolidine-1-carboxylate;tert-butyl (3R)-3-[(2-methylpropanoylamino)methyl]pyrrolidine-1-carboxylate;N-(cyclohexylmethyl)-2-methylpropanamide;N-(cyclopentylmethyl)-2-methylpropanamide;(2S)-3-(1H-indol-3-yl)-2-(2-methylpropanoylamino)propanoate;2-methyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide;bis(2-methyl-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]propanamide);2-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]propanamide
SMILESCC(C)C(=O)NCC1CCCC1.CC(C)C(=O)NCC1CCCCC1.CC(C)C(=O)NCC1CCN(C)CC1.CC(C)C(=O)NC[C@@H]1CCCN1.CC(C)C(=O)NC[C@@H]1CCCN1C(=O)OC(C)(C)C.CC(C)C(=O)NC[C@@H]1CCN(C)C1.CC(C)C(=O)NC[C@@H]1CCN(C)C1.CC(C)C(=O)NC[C@H]1CCCN(C(=O)OC(C)(C)C)C1.CC(C)C(=O)NC[C@H]1CCN(C(=O)OC(C)(C)C)C1.CC(C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1ccccc1.CC(C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-]
InChIInChI=1S/C22H24N2O3.C15H18N2O3.C15H28N2O3.2C14H26N2O3.C11H22N2O.C11H21NO.2C10H20N2O.C10H19NO.C9H18N2O/c1-15(2)21(25)24-20(22(26)27-14-16-8-4-3-5-9-16)12-17-13-23-19-11-7-6-10-18(17)19;1-9(2)14(18)17-13(15(19)20)7-10-8-16-12-6-4-3-5-11(10)12;1-11(2)13(18)16-9-12-7-6-8-17(10-12)14(19)20-15(3,4)5;1-10(2)12(17)15-8-11-6-7-16(9-11)13(18)19-14(3,4)5;1-10(2)12(17)15-9-11-7-6-8-16(11)13(18)19-14(3,4)5;1-9(2)11(14)12-8-10-4-6-13(3)7-5-10;1-9(2)11(13)12-8-10-6-4-3-5-7-10;2*1-8(2)10(13)11-6-9-4-5-12(3)7-9;1-8(2)10(12)11-7-9-5-3-4-6-9;1-7(2)9(12)11-6-8-4-3-5-10-8/h3-11,13,15,20,23H,12,14H2,1-2H3,(H,24,25);3-6,8-9,13,16H,7H2,1-2H3,(H,17,18)(H,19,20);11-12H,6-10H2,1-5H3,(H,16,18);2*10-11H,6-9H2,1-5H3,(H,15,17);9-10H,4-8H2,1-3H3,(H,12,14);9-10H,3-8H2,1-2H3,(H,12,13);2*8-9H,4-7H2,1-3H3,(H,11,13);8-9H,3-7H2,1-2H3,(H,11,12);7-8,10H,3-6H2,1-2H3,(H,11,12)/p-1/t20-;13-;12-;2*11-;;;2*9-;;8-/m00110..00.0/s1
InChIKeySDCBRZAQOWJZOX-LVULOLLVSA-M
MW2552.60 g/mol
LogP18.09
Rot. Bonds39

About benzyl (2S)-3-(1H-indol-3-yl)-2-(2-methylpropanoylamino)propanoate;tert-butyl (3R)-3-[(2-methylpropanoylamino)methyl]piperidine-1-carboxylate;tert-butyl (2S)-2-[(2-methylpropanoylamino)methyl]pyrrolidine-1-carboxylate;tert-butyl (3R)-3-[(2-methylpropanoylamino)methyl]pyrrolidine-1-carboxylate;N-(cyclohexylmethyl)-2-methylpropanamide;N-(cyclopentylmethyl)-2-methylpropanamide;(2S)-3-(1H-indol-3-yl)-2-(2-methylpropanoylamino)propanoate;2-methyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide;bis(2-methyl-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]propanamide);2-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]propanamide

benzyl (2S)-3-(1H-indol-3-yl)-2-(2-methylpropanoylamino)propanoate;tert-butyl (3R)-3-[(2-methylpropanoylamino)methyl]piperidine-1-carboxylate;tert-butyl (2S)-2-[(2-methylpropanoylamino)methyl]pyrrolidine-1-carboxylate;tert-butyl (3R)-3-[(2-methylpropanoylamino)methyl]pyrrolidine-1-carboxylate;N-(cyclohexylmethyl)-2-methylpropanamide;N-(cyclopentylmethyl)-2-methylpropanamide;(2S)-3-(1H-indol-3-yl)-2-(2-methylpropanoylamino)propanoate;2-methyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide;bis(2-methyl-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]propanamide);2-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]propanamide (PubChem CID 160801225) has the molecular formula C141H241N20O21- and a molecular weight of 2552.60 g/mol. Its IUPAC name is benzyl (2S)-3-(1H-indol-3-yl)-2-(2-methylpropanoylamino)propanoate;tert-butyl (3R)-3-[(2-methylpropanoylamino)methyl]piperidine-1-carboxylate;tert-butyl (2S)-2-[(2-methylpropanoylamino)methyl]pyrrolidine-1-carboxylate;tert-butyl (3R)-3-[(2-methylpropanoylamino)methyl]pyrrolidine-1-carboxylate;N-(cyclohexylmethyl)-2-methylpropanamide;N-(cyclopentylmethyl)-2-methylpropanamide;(2S)-3-(1H-indol-3-yl)-2-(2-methylpropanoylamino)propanoate;2-methyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide;bis(2-methyl-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]propanamide);2-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]propanamide.

Molecular Properties

Compound Namebenzyl (2S)-3-(1H-indol-3-yl)-2-(2-methylpropanoylamino)propanoate;tert-butyl (3R)-3-[(2-methylpropanoylamino)methyl]piperidine-1-carboxylate;tert-butyl (2S)-2-[(2-methylpropanoylamino)methyl]pyrrolidine-1-carboxylate;tert-butyl (3R)-3-[(2-methylpropanoylamino)methyl]pyrrolidine-1-carboxylate;N-(cyclohexylmethyl)-2-methylpropanamide;N-(cyclopentylmethyl)-2-methylpropanamide;(2S)-3-(1H-indol-3-yl)-2-(2-methylpropanoylamino)propanoate;2-methyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide;bis(2-methyl-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]propanamide);2-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]propanamide
PubChem CID160801225
Molecular FormulaC141H241N20O21-
Molecular Weight2552.60 g/mol
Exact Mass2550.84
IUPAC Namebenzyl (2S)-3-(1H-indol-3-yl)-2-(2-methylpropanoylamino)propanoate;tert-butyl (3R)-3-[(2-methylpropanoylamino)methyl]piperidine-1-carboxylate;tert-butyl (2S)-2-[(2-methylpropanoylamino)methyl]pyrrolidine-1-carboxylate;tert-butyl (3R)-3-[(2-methylpropanoylamino)methyl]pyrrolidine-1-carboxylate;N-(cyclohexylmethyl)-2-methylpropanamide;N-(cyclopentylmethyl)-2-methylpropanamide;(2S)-3-(1H-indol-3-yl)-2-(2-methylpropanoylamino)propanoate;2-methyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide;bis(2-methyl-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]propanamide);2-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]propanamide
SMILESCC(C)C(=O)NCC1CCCC1.CC(C)C(=O)NCC1CCCCC1.CC(C)C(=O)NCC1CCN(C)CC1.CC(C)C(=O)NC[C@@H]1CCCN1.CC(C)C(=O)NC[C@@H]1CCCN1C(=O)OC(C)(C)C.CC(C)C(=O)NC[C@@H]1CCN(C)C1.CC(C)C(=O)NC[C@@H]1CCN(C)C1.CC(C)C(=O)NC[C@H]1CCCN(C(=O)OC(C)(C)C)C1.CC(C)C(=O)NC[C@H]1CCN(C(=O)OC(C)(C)C)C1.CC(C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1ccccc1.CC(C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-]
InChIInChI=1S/C22H24N2O3.C15H18N2O3.C15H28N2O3.2C14H26N2O3.C11H22N2O.C11H21NO.2C10H20N2O.C10H19NO.C9H18N2O/c1-15(2)21(25)24-20(22(26)27-14-16-8-4-3-5-9-16)12-17-13-23-19-11-7-6-10-18(17)19;1-9(2)14(18)17-13(15(19)20)7-10-8-16-12-6-4-3-5-11(10)12;1-11(2)13(18)16-9-12-7-6-8-17(10-12)14(19)20-15(3,4)5;1-10(2)12(17)15-8-11-6-7-16(9-11)13(18)19-14(3,4)5;1-10(2)12(17)15-9-11-7-6-8-16(11)13(18)19-14(3,4)5;1-9(2)11(14)12-8-10-4-6-13(3)7-5-10;1-9(2)11(13)12-8-10-6-4-3-5-7-10;2*1-8(2)10(13)11-6-9-4-5-12(3)7-9;1-8(2)10(12)11-7-9-5-3-4-6-9;1-7(2)9(12)11-6-8-4-3-5-10-8/h3-11,13,15,20,23H,12,14H2,1-2H3,(H,24,25);3-6,8-9,13,16H,7H2,1-2H3,(H,17,18)(H,19,20);11-12H,6-10H2,1-5H3,(H,16,18);2*10-11H,6-9H2,1-5H3,(H,15,17);9-10H,4-8H2,1-3H3,(H,12,14);9-10H,3-8H2,1-2H3,(H,12,13);2*8-9H,4-7H2,1-3H3,(H,11,13);8-9H,3-7H2,1-2H3,(H,11,12);7-8,10H,3-6H2,1-2H3,(H,11,12)/p-1/t20-;13-;12-;2*11-;;;2*9-;;8-/m00110..00.0/s1
InChIKeySDCBRZAQOWJZOX-LVULOLLVSA-M
XLogP18.09
TPSA528.48 Ų
H-Bond Donors14
H-Bond Acceptors25
Rotatable Bonds39
Heavy Atoms182
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002552.60
LogP ≤ 518.09
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze benzyl (2S)-3-(1H-indol-3-yl)-2-(2-methylpropanoylamino)propanoate;tert-butyl (3R)-3-[(2-methylpropanoylamino)methyl]piperidine-1-carboxylate;tert-butyl (2S)-2-[(2-methylpropanoylamino)methyl]pyrrolidine-1-carboxylate;tert-butyl (3R)-3-[(2-methylpropanoylamino)methyl]pyrrolidine-1-carboxylate;N-(cyclohexylmethyl)-2-methylpropanamide;N-(cyclopentylmethyl)-2-methylpropanamide;(2S)-3-(1H-indol-3-yl)-2-(2-methylpropanoylamino)propanoate;2-methyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide;bis(2-methyl-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]propanamide);2-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]propanamide with MolForge

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Launch Full Analysis

Related Compounds

H-Tyr-D-Ala-Gly-Phe-Pro-Leu-Trp-O-Bzl
CID 24768352
(2R)-2-[[4-[3-[3-[3-[[1,7-bis[[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-4-[3-[[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-3-oxopropoxy]-2,2-bis[[3-[[1,7-bis[[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-4-[3-[[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-3-oxopropoxy]methyl]propoxy]propanoylamino]-7-[[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-4-[3-[[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-3-oxopropyl]-7-oxoheptanoyl]amino]-3-(1H-indol-3-yl)propanoic acid
CID 155533241
methyl (2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-5-(diaminomethylideneamino)-2-(phenylmethoxycarbonylamino)pentanoyl]pyrrolidine-2-carbonyl]amino]-6-(phenylmethoxycarbonylamino)hexanoyl]pyrrolidine-2-carbonyl]amino]-4-oxobutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylpentanoyl]amino]-4-methylsulfanylbutanoate
CID 44271335
Pwgf(CH2NH)wwfw
CID 44302261
Cbz-D-Glu(1)-D-Phe-N(1)Lys-Trp-Leu-D-Ala-OMe
CID 44319648
(2R,4R)-1-[(2R)-2-(2-azatricyclo[3.3.1.13,7]decan-2-yloxycarbonylamino)-3-(1H-indol-3-yl)-2-methylpropanoyl]-4-phenylmethoxypyrrolidine-2-carboxylic acid
CID 44351492
benzyl (2S)-2-[(15S)-12,12-dimethyl-14-oxo-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6-tetraen-13-yl]-2-(1H-indol-3-yl)acetate
CID 46228608
(2S)-2-[[4-[3-[3-[3-[[1,7-bis[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-4-[3-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-3-oxopropoxy]-2,2-bis[[3-[[1,7-bis[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-4-[3-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-3-oxopropoxy]methyl]propoxy]propanoylamino]-7-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-4-[3-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-3-oxopropyl]-7-oxoheptanoyl]amino]-3-(1H-indol-2-yl)propanoic acid
CID 168279390
Fmoc-Lys-Trp-Lys-Lys-Lys(1)-Lys(2)-Gly-OH.Fmoc-Lys-Trp-Lys-Lys-Lys(3)-(2).Fmoc-Lys-Trp-Lys-Lys-(3).Fmoc-Lys-Trp-Lys-Lys-(1)
CID 168291335
Fmoc-Lys-Lys-Trp-Lys-Lys(1)-Lys(2)-Gly-OH.Fmoc-Lys-Lys-Trp-Lys-Lys(3)-(2).Fmoc-Lys-Lys-Trp-Lys-(3).Fmoc-Lys-Lys-Trp-Lys-(1)
CID 168291921
methyl 2-[[2-[[2-[[2-(tert-butoxycarbonylamino)-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoate
CID 381617
Methyl 2-((2-(((benzyloxy)carbonyl)amino)-3-(1H-indol-3-yl)propanoyl)amino)-3-(1H-indol-3-yl)propanoate
CID 363200

Frequently Asked Questions

What is the IUPAC name of benzyl (2S)-3-(1H-indol-3-yl)-2-(2-methylpropanoylamino)propanoate;tert-butyl (3R)-3-[(2-methylpropanoylamino)methyl]piperidine-1-carboxylate;tert-butyl (2S)-2-[(2-methylpropanoylamino)methyl]pyrrolidine-1-carboxylate;tert-butyl (3R)-3-[(2-methylpropanoylamino)methyl]pyrrolidine-1-carboxylate;N-(cyclohexylmethyl)-2-methylpropanamide;N-(cyclopentylmethyl)-2-methylpropanamide;(2S)-3-(1H-indol-3-yl)-2-(2-methylpropanoylamino)propanoate;2-methyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide;bis(2-methyl-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]propanamide);2-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]propanamide?
The IUPAC name of benzyl (2S)-3-(1H-indol-3-yl)-2-(2-methylpropanoylamino)propanoate;tert-butyl (3R)-3-[(2-methylpropanoylamino)methyl]piperidine-1-carboxylate;tert-butyl (2S)-2-[(2-methylpropanoylamino)methyl]pyrrolidine-1-carboxylate;tert-butyl (3R)-3-[(2-methylpropanoylamino)methyl]pyrrolidine-1-carboxylate;N-(cyclohexylmethyl)-2-methylpropanamide;N-(cyclopentylmethyl)-2-methylpropanamide;(2S)-3-(1H-indol-3-yl)-2-(2-methylpropanoylamino)propanoate;2-methyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide;bis(2-methyl-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]propanamide);2-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]propanamide (CID 160801225) is benzyl (2S)-3-(1H-indol-3-yl)-2-(2-methylpropanoylamino)propanoate;tert-butyl (3R)-3-[(2-methylpropanoylamino)methyl]piperidine-1-carboxylate;tert-butyl (2S)-2-[(2-methylpropanoylamino)methyl]pyrrolidine-1-carboxylate;tert-butyl (3R)-3-[(2-methylpropanoylamino)methyl]pyrrolidine-1-carboxylate;N-(cyclohexylmethyl)-2-methylpropanamide;N-(cyclopentylmethyl)-2-methylpropanamide;(2S)-3-(1H-indol-3-yl)-2-(2-methylpropanoylamino)propanoate;2-methyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide;bis(2-methyl-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]propanamide);2-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]propanamide.
What is the SMILES notation for benzyl (2S)-3-(1H-indol-3-yl)-2-(2-methylpropanoylamino)propanoate;tert-butyl (3R)-3-[(2-methylpropanoylamino)methyl]piperidine-1-carboxylate;tert-butyl (2S)-2-[(2-methylpropanoylamino)methyl]pyrrolidine-1-carboxylate;tert-butyl (3R)-3-[(2-methylpropanoylamino)methyl]pyrrolidine-1-carboxylate;N-(cyclohexylmethyl)-2-methylpropanamide;N-(cyclopentylmethyl)-2-methylpropanamide;(2S)-3-(1H-indol-3-yl)-2-(2-methylpropanoylamino)propanoate;2-methyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide;bis(2-methyl-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]propanamide);2-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]propanamide?
The canonical SMILES for benzyl (2S)-3-(1H-indol-3-yl)-2-(2-methylpropanoylamino)propanoate;tert-butyl (3R)-3-[(2-methylpropanoylamino)methyl]piperidine-1-carboxylate;tert-butyl (2S)-2-[(2-methylpropanoylamino)methyl]pyrrolidine-1-carboxylate;tert-butyl (3R)-3-[(2-methylpropanoylamino)methyl]pyrrolidine-1-carboxylate;N-(cyclohexylmethyl)-2-methylpropanamide;N-(cyclopentylmethyl)-2-methylpropanamide;(2S)-3-(1H-indol-3-yl)-2-(2-methylpropanoylamino)propanoate;2-methyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide;bis(2-methyl-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]propanamide);2-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]propanamide is CC(C)C(=O)NCC1CCCC1.CC(C)C(=O)NCC1CCCCC1.CC(C)C(=O)NCC1CCN(C)CC1.CC(C)C(=O)NC[C@@H]1CCCN1.CC(C)C(=O)NC[C@@H]1CCCN1C(=O)OC(C)(C)C.CC(C)C(=O)NC[C@@H]1CCN(C)C1.CC(C)C(=O)NC[C@@H]1CCN(C)C1.CC(C)C(=O)NC[C@H]1CCCN(C(=O)OC(C)(C)C)C1.CC(C)C(=O)NC[C@H]1CCN(C(=O)OC(C)(C)C)C1.CC(C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1ccccc1.CC(C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-].
What is the InChIKey of benzyl (2S)-3-(1H-indol-3-yl)-2-(2-methylpropanoylamino)propanoate;tert-butyl (3R)-3-[(2-methylpropanoylamino)methyl]piperidine-1-carboxylate;tert-butyl (2S)-2-[(2-methylpropanoylamino)methyl]pyrrolidine-1-carboxylate;tert-butyl (3R)-3-[(2-methylpropanoylamino)methyl]pyrrolidine-1-carboxylate;N-(cyclohexylmethyl)-2-methylpropanamide;N-(cyclopentylmethyl)-2-methylpropanamide;(2S)-3-(1H-indol-3-yl)-2-(2-methylpropanoylamino)propanoate;2-methyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide;bis(2-methyl-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]propanamide);2-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]propanamide?
The InChIKey is SDCBRZAQOWJZOX-LVULOLLVSA-M. The full InChI is InChI=1S/C22H24N2O3.C15H18N2O3.C15H28N2O3.2C14H26N2O3.C11H22N2O.C11H21NO.2C10H20N2O.C10H19NO.C9H18N2O/c1-15(2)21(25)24-20(22(26)27-14-16-8-4-3-5-9-16)12-17-13-23-19-11-7-6-10-18(17)19;1-9(2)14(18)17-13(15(19)20)7-10-8-16-12-6-4-3-5-11(10)12;1-11(2)13(18)16-9-12-7-6-8-17(10-12)14(19)20-15(3,4)5;1-10(2)12(17)15-8-11-6-7-16(9-11)13(18)19-14(3,4)5;1-10(2)12(17)15-9-11-7-6-8-16(11)13(18)19-14(3,4)5;1-9(2)11(14)12-8-10-4-6-13(3)7-5-10;1-9(2)11(13)12-8-10-6-4-3-5-7-10;2*1-8(2)10(13)11-6-9-4-5-12(3)7-9;1-8(2)10(12)11-7-9-5-3-4-6-9;1-7(2)9(12)11-6-8-4-3-5-10-8/h3-11,13,15,20,23H,12,14H2,1-2H3,(H,24,25);3-6,8-9,13,16H,7H2,1-2H3,(H,17,18)(H,19,20);11-12H,6-10H2,1-5H3,(H,16,18);2*10-11H,6-9H2,1-5H3,(H,15,17);9-10H,4-8H2,1-3H3,(H,12,14);9-10H,3-8H2,1-2H3,(H,12,13);2*8-9H,4-7H2,1-3H3,(H,11,13);8-9H,3-7H2,1-2H3,(H,11,12);7-8,10H,3-6H2,1-2H3,(H,11,12)/p-1/t20-;13-;12-;2*11-;;;2*9-;;8-/m00110..00.0/s1.
What are the key properties of benzyl (2S)-3-(1H-indol-3-yl)-2-(2-methylpropanoylamino)propanoate;tert-butyl (3R)-3-[(2-methylpropanoylamino)methyl]piperidine-1-carboxylate;tert-butyl (2S)-2-[(2-methylpropanoylamino)methyl]pyrrolidine-1-carboxylate;tert-butyl (3R)-3-[(2-methylpropanoylamino)methyl]pyrrolidine-1-carboxylate;N-(cyclohexylmethyl)-2-methylpropanamide;N-(cyclopentylmethyl)-2-methylpropanamide;(2S)-3-(1H-indol-3-yl)-2-(2-methylpropanoylamino)propanoate;2-methyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide;bis(2-methyl-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]propanamide);2-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]propanamide?
benzyl (2S)-3-(1H-indol-3-yl)-2-(2-methylpropanoylamino)propanoate;tert-butyl (3R)-3-[(2-methylpropanoylamino)methyl]piperidine-1-carboxylate;tert-butyl (2S)-2-[(2-methylpropanoylamino)methyl]pyrrolidine-1-carboxylate;tert-butyl (3R)-3-[(2-methylpropanoylamino)methyl]pyrrolidine-1-carboxylate;N-(cyclohexylmethyl)-2-methylpropanamide;N-(cyclopentylmethyl)-2-methylpropanamide;(2S)-3-(1H-indol-3-yl)-2-(2-methylpropanoylamino)propanoate;2-methyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide;bis(2-methyl-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]propanamide);2-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]propanamide has a molecular weight of 2552.60 g/mol, XLogP of 18.09, 39 rotatable bonds, 14 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2S)-3-(1H-indol-3-yl)-2-(2-methylpropanoylamino)propanoate;tert-butyl (3R)-3-[(2-methylpropanoylamino)methyl]piperidine-1-carboxylate;tert-butyl (2S)-2-[(2-methylpropanoylamino)methyl]pyrrolidine-1-carboxylate;tert-butyl (3R)-3-[(2-methylpropanoylamino)methyl]pyrrolidine-1-carboxylate;N-(cyclohexylmethyl)-2-methylpropanamide;N-(cyclopentylmethyl)-2-methylpropanamide;(2S)-3-(1H-indol-3-yl)-2-(2-methylpropanoylamino)propanoate;2-methyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide;bis(2-methyl-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]propanamide);2-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]propanamide is sourced from PubChem (CID 160801225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).