(2S)-N-[(2S)-1-[[(2S)-1-amino-3-(1-methoxyindol-3-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]piperidine-2-carboxamide

C24H35N5O4 — CID 71097996

IUPAC(2S)-N-[(2S)-1-[[(2S)-1-amino-3-(1-methoxyindol-3-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]piperidine-2-carboxamide
SMILESCCC(C)[C@H](NC(=O)[C@@H]1CCCCN1)C(=O)N[C@@H](Cc1cn(OC)c2ccccc12)C(N)=O
InChIInChI=1S/C24H35N5O4/c1-4-15(2)21(28-23(31)18-10-7-8-12-26-18)24(32)27-19(22(25)30)13-16-14-29(33-3)20-11-6-5-9-17(16)20/h5-6,9,11,14-15,18-19,21,26H,4,7-8,10,12-13H2,1-3H3,(H2,25,30)(H,27,32)(H,28,31)/t15?,18-,19-,21-/m0/s1
InChIKeyRKEVQBKVZWWZTG-FEGDMLQVSA-N
MW457.58 g/mol
LogP0.89
Rot. Bonds10

About (2S)-N-[(2S)-1-[[(2S)-1-amino-3-(1-methoxyindol-3-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]piperidine-2-carboxamide

(2S)-N-[(2S)-1-[[(2S)-1-amino-3-(1-methoxyindol-3-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]piperidine-2-carboxamide (PubChem CID 71097996) has the molecular formula C24H35N5O4 and a molecular weight of 457.58 g/mol. Its IUPAC name is (2S)-N-[(2S)-1-[[(2S)-1-amino-3-(1-methoxyindol-3-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(2S)-1-[[(2S)-1-amino-3-(1-methoxyindol-3-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]piperidine-2-carboxamide
PubChem CID71097996
Molecular FormulaC24H35N5O4
Molecular Weight457.58 g/mol
Exact Mass457.27
IUPAC Name(2S)-N-[(2S)-1-[[(2S)-1-amino-3-(1-methoxyindol-3-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]piperidine-2-carboxamide
SMILESCCC(C)[C@H](NC(=O)[C@@H]1CCCCN1)C(=O)N[C@@H](Cc1cn(OC)c2ccccc12)C(N)=O
InChIInChI=1S/C24H35N5O4/c1-4-15(2)21(28-23(31)18-10-7-8-12-26-18)24(32)27-19(22(25)30)13-16-14-29(33-3)20-11-6-5-9-17(16)20/h5-6,9,11,14-15,18-19,21,26H,4,7-8,10,12-13H2,1-3H3,(H2,25,30)(H,27,32)(H,28,31)/t15?,18-,19-,21-/m0/s1
InChIKeyRKEVQBKVZWWZTG-FEGDMLQVSA-N
XLogP0.89
TPSA127.48 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.58
LogP ≤ 50.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze (2S)-N-[(2S)-1-[[(2S)-1-amino-3-(1-methoxyindol-3-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]piperidine-2-carboxamide with MolForge

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Related Compounds

(2S)-2-[[(2S)-3-(1-methoxyindol-3-yl)-2-[[(2S)-8-oxo-2-[[(2R)-piperidine-2-carbonyl]amino]decanoyl]amino]propanoyl]amino]-3-methylpentanoic acid
CID 10995831
(2R)-N-[(2S)-1-[[(2S)-3-(1-methoxyindol-3-yl)-1-[(3-methyl-1-oxobutan-2-yl)amino]-1-oxopropan-2-yl]amino]-1,8-dioxodecan-2-yl]piperidine-2-carboxamide
CID 88971164
(2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-amino-3-(1-formylindol-3-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxo-5-phenylpentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-(1-formylindol-3-yl)-1-oxopropan-2-yl]-1-[(2S)-3-(1-formylindol-3-yl)-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]pyrrolidine-2-carboxamide
CID 73354699
methyl 3-methyl-2-[[(2S)-piperidine-2-carbonyl]amino]pentanoate
CID 104913149
(2S)-2-[[(2S)-5-amino-2-[[(2S,3S)-3-methyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoyl]amino]-5-oxopentanoyl]amino]propanoic acid
CID 71402544
(2S)-5-(diaminomethylideneamino)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S,3S)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S,3S)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-3-(1H-indol-3-yl)-2-[[(2S)-3-phenyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]amino]propanoyl]amino]pentanoyl]amino]pentanoyl]amino]-3-methylpentanoyl]amino]pentanoyl]amino]-3-methylpentanoyl]amino]pentanoyl]amino]pentanoic acid
CID 25081271
methyl 3-methyl-2-(pyrrolidine-2-carbonylamino)pentanoate
CID 14278857
tert-butyl (2S)-3-methyl-2-[[(2S)-3-phenyl-2-[[(2S)-piperidine-2-carbonyl]amino]propanoyl]amino]pentanoate
CID 10366250
3-methyl-2-[[3-phenyl-2-(pyrrolidine-2-carbonylamino)propanoyl]amino]pentanoic acid
CID 18223662
(2R)-N-[1-(2-methoxyphenyl)propan-2-yl]piperidine-2-carboxamide
CID 103808999
N-[1-(2-methoxyphenyl)propan-2-yl]piperidine-2-carboxamide
CID 60927015
(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S,3S)-2-[[(2S)-5-amino-5-oxo-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylbutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-5-oxopentanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
CID 11513593

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2S)-1-[[(2S)-1-amino-3-(1-methoxyindol-3-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]piperidine-2-carboxamide?
The IUPAC name of (2S)-N-[(2S)-1-[[(2S)-1-amino-3-(1-methoxyindol-3-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]piperidine-2-carboxamide (CID 71097996) is (2S)-N-[(2S)-1-[[(2S)-1-amino-3-(1-methoxyindol-3-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]piperidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[(2S)-1-[[(2S)-1-amino-3-(1-methoxyindol-3-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]piperidine-2-carboxamide?
The canonical SMILES for (2S)-N-[(2S)-1-[[(2S)-1-amino-3-(1-methoxyindol-3-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]piperidine-2-carboxamide is CCC(C)[C@H](NC(=O)[C@@H]1CCCCN1)C(=O)N[C@@H](Cc1cn(OC)c2ccccc12)C(N)=O.
What is the InChIKey of (2S)-N-[(2S)-1-[[(2S)-1-amino-3-(1-methoxyindol-3-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]piperidine-2-carboxamide?
The InChIKey is RKEVQBKVZWWZTG-FEGDMLQVSA-N. The full InChI is InChI=1S/C24H35N5O4/c1-4-15(2)21(28-23(31)18-10-7-8-12-26-18)24(32)27-19(22(25)30)13-16-14-29(33-3)20-11-6-5-9-17(16)20/h5-6,9,11,14-15,18-19,21,26H,4,7-8,10,12-13H2,1-3H3,(H2,25,30)(H,27,32)(H,28,31)/t15?,18-,19-,21-/m0/s1.
What are the key properties of (2S)-N-[(2S)-1-[[(2S)-1-amino-3-(1-methoxyindol-3-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]piperidine-2-carboxamide?
(2S)-N-[(2S)-1-[[(2S)-1-amino-3-(1-methoxyindol-3-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]piperidine-2-carboxamide has a molecular weight of 457.58 g/mol, XLogP of 0.89, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2S)-1-[[(2S)-1-amino-3-(1-methoxyindol-3-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]piperidine-2-carboxamide is sourced from PubChem (CID 71097996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).