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

C18H27N3O3 — CID 66566796

IUPACbenzyl N-[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-3-yl]carbamate
SMILESCC(C)[C@H](N)C(=O)N1CCCC(NC(=O)OCc2ccccc2)C1
InChIInChI=1S/C18H27N3O3/c1-13(2)16(19)17(22)21-10-6-9-15(11-21)20-18(23)24-12-14-7-4-3-5-8-14/h3-5,7-8,13,15-16H,6,9-12,19H2,1-2H3,(H,20,23)/t15?,16-/m0/s1
InChIKeyCUCHXCUJNJXXAM-LYKKTTPLSA-N
MW333.43 g/mol
LogP1.89
Rot. Bonds5

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

benzyl N-[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-3-yl]carbamate (PubChem CID 66566796) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is benzyl N-[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-3-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-3-yl]carbamate
PubChem CID66566796
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Namebenzyl N-[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-3-yl]carbamate
SMILESCC(C)[C@H](N)C(=O)N1CCCC(NC(=O)OCc2ccccc2)C1
InChIInChI=1S/C18H27N3O3/c1-13(2)16(19)17(22)21-10-6-9-15(11-21)20-18(23)24-12-14-7-4-3-5-8-14/h3-5,7-8,13,15-16H,6,9-12,19H2,1-2H3,(H,20,23)/t15?,16-/m0/s1
InChIKeyCUCHXCUJNJXXAM-LYKKTTPLSA-N
XLogP1.89
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-[1-(2-aminopropanoyl)piperidin-3-yl]carbamate
CID 77144045
benzyl N-[(3R)-1-[(2S,3R)-2-amino-3-(cyclohexylmethoxy)butanoyl]piperidin-3-yl]carbamate
CID 171593752
benzyl N-[[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-3-yl]methyl]carbamate
CID 66566800
benzyl N-[(3S)-1-(2-chloroacetyl)piperidin-3-yl]carbamate
CID 66566590
benzyl N-[[1-(2-amino-3-methylbutanoyl)piperidin-3-yl]methyl]-N-propan-2-ylcarbamate
CID 77144118
benzyl N-[1-(4-chlorobenzoyl)piperidin-3-yl]carbamate
CID 68593392
benzyl N-(1-carbamoylpyrrolidin-3-yl)carbamate
CID 130774692
benzyl N-[4-[3-amino-1-(dimethylamino)-4-[(3S)-3-fluoropyrrolidin-1-yl]-1,4-dioxobutan-2-yl]cyclohexyl]carbamate
CID 70329439
N-[1-(2-amino-3-methylbutanoyl)piperidin-3-yl]acetamide
CID 54872010
benzyl N-(1-acetylazetidin-3-yl)carbamate
CID 118370546
benzyl N-[1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidin-3-yl]-N-methylcarbamate
CID 66566803
N-[1-[(2S)-2-amino-3-phenylpropanoyl]piperidin-3-yl]butanamide;hydrochloride
CID 119310793

Frequently Asked Questions

What is the IUPAC name of benzyl N-[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-3-yl]carbamate?
The IUPAC name of benzyl N-[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-3-yl]carbamate (CID 66566796) is benzyl N-[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-3-yl]carbamate.
What is the SMILES notation for benzyl N-[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-3-yl]carbamate?
The canonical SMILES for benzyl N-[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-3-yl]carbamate is CC(C)[C@H](N)C(=O)N1CCCC(NC(=O)OCc2ccccc2)C1.
What is the InChIKey of benzyl N-[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-3-yl]carbamate?
The InChIKey is CUCHXCUJNJXXAM-LYKKTTPLSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-13(2)16(19)17(22)21-10-6-9-15(11-21)20-18(23)24-12-14-7-4-3-5-8-14/h3-5,7-8,13,15-16H,6,9-12,19H2,1-2H3,(H,20,23)/t15?,16-/m0/s1.
What are the key properties of benzyl N-[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-3-yl]carbamate?
benzyl N-[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-3-yl]carbamate has a molecular weight of 333.43 g/mol, XLogP of 1.89, 5 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]carbamate is sourced from PubChem (CID 66566796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).