benzyl N-[[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-3-yl]methyl]carbamate

C19H29N3O3 — CID 66566800

IUPACbenzyl N-[[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-3-yl]methyl]carbamate
SMILESCC(C)[C@H](N)C(=O)N1CCCC(CNC(=O)OCc2ccccc2)C1
InChIInChI=1S/C19H29N3O3/c1-14(2)17(20)18(23)22-10-6-9-16(12-22)11-21-19(24)25-13-15-7-4-3-5-8-15/h3-5,7-8,14,16-17H,6,9-13,20H2,1-2H3,(H,21,24)/t16?,17-/m0/s1
InChIKeyUTMGZWNCSDZZBZ-DJNXLDHESA-N
MW347.46 g/mol
LogP2.13
Rot. Bonds6

About benzyl N-[[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-3-yl]methyl]carbamate

benzyl N-[[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-3-yl]methyl]carbamate (PubChem CID 66566800) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is benzyl N-[[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-3-yl]methyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-3-yl]methyl]carbamate
PubChem CID66566800
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Namebenzyl N-[[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-3-yl]methyl]carbamate
SMILESCC(C)[C@H](N)C(=O)N1CCCC(CNC(=O)OCc2ccccc2)C1
InChIInChI=1S/C19H29N3O3/c1-14(2)17(20)18(23)22-10-6-9-16(12-22)11-21-19(24)25-13-15-7-4-3-5-8-15/h3-5,7-8,14,16-17H,6,9-13,20H2,1-2H3,(H,21,24)/t16?,17-/m0/s1
InChIKeyUTMGZWNCSDZZBZ-DJNXLDHESA-N
XLogP2.13
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-[[(3S)-1-[(2S)-2-aminopropanoyl]pyrrolidin-3-yl]methyl]carbamate
CID 96553995
benzyl N-[[(3R)-1-[(2S)-2-aminopropanoyl]pyrrolidin-3-yl]methyl]carbamate
CID 96553994
3-(phenylmethoxycarbonylaminomethyl)piperidine-1-carboxylic acid
CID 22350247
propan-2-yl 3-(phenylmethoxycarbonylaminomethyl)piperidine-1-carboxylate
CID 143244812
benzyl N-[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-3-yl]carbamate
CID 66566796
benzyl N-[[1-(2-amino-3-methylbutanoyl)piperidin-3-yl]methyl]-N-propan-2-ylcarbamate
CID 77144118
benzyl N-[(1-prop-2-enoylpiperidin-3-yl)methyl]carbamate
CID 166410489
[1-[(2R)-2-amino-3-methylbutanoyl]piperidin-3-yl]methylurea
CID 79013238
benzyl N-[(2R)-1-[(3R)-3-(methanesulfonamidomethyl)piperidin-1-yl]-1-oxopropan-2-yl]carbamate
CID 51727543
N-[[1-(2-amino-3-methylpentanoyl)piperidin-3-yl]methyl]benzamide
CID 119766222
2-amino-1-[3-[[benzyl(propan-2-yl)amino]methyl]piperidin-1-yl]-3-methylbutan-1-one
CID 77143590
benzyl N-[(3R)-1-[(2S,3R)-2-amino-3-(cyclohexylmethoxy)butanoyl]piperidin-3-yl]carbamate
CID 171593752

Frequently Asked Questions

What is the IUPAC name of benzyl N-[[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-3-yl]methyl]carbamate?
The IUPAC name of benzyl N-[[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-3-yl]methyl]carbamate (CID 66566800) is benzyl N-[[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-3-yl]methyl]carbamate.
What is the SMILES notation for benzyl N-[[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-3-yl]methyl]carbamate?
The canonical SMILES for benzyl N-[[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-3-yl]methyl]carbamate is CC(C)[C@H](N)C(=O)N1CCCC(CNC(=O)OCc2ccccc2)C1.
What is the InChIKey of benzyl N-[[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-3-yl]methyl]carbamate?
The InChIKey is UTMGZWNCSDZZBZ-DJNXLDHESA-N. The full InChI is InChI=1S/C19H29N3O3/c1-14(2)17(20)18(23)22-10-6-9-16(12-22)11-21-19(24)25-13-15-7-4-3-5-8-15/h3-5,7-8,14,16-17H,6,9-13,20H2,1-2H3,(H,21,24)/t16?,17-/m0/s1.
What are the key properties of benzyl N-[[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-3-yl]methyl]carbamate?
benzyl N-[[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-3-yl]methyl]carbamate has a molecular weight of 347.46 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-3-yl]methyl]carbamate is sourced from PubChem (CID 66566800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).