(2S)-2-amino-N-(1-benzyl-2-oxopyrrolidin-3-yl)propanamide

C14H19N3O2 — CID 119308609

IUPAC(2S)-2-amino-N-(1-benzyl-2-oxopyrrolidin-3-yl)propanamide
SMILESC[C@H](N)C(=O)NC1CCN(Cc2ccccc2)C1=O
InChIInChI=1S/C14H19N3O2/c1-10(15)13(18)16-12-7-8-17(14(12)19)9-11-5-3-2-4-6-11/h2-6,10,12H,7-9,15H2,1H3,(H,16,18)/t10-,12?/m0/s1
InChIKeyCSXBFSAQXBKSKE-NUHJPDEHSA-N
MW261.32 g/mol
LogP0.25
Rot. Bonds4

About (2S)-2-amino-N-(1-benzyl-2-oxopyrrolidin-3-yl)propanamide

(2S)-2-amino-N-(1-benzyl-2-oxopyrrolidin-3-yl)propanamide (PubChem CID 119308609) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is (2S)-2-amino-N-(1-benzyl-2-oxopyrrolidin-3-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(1-benzyl-2-oxopyrrolidin-3-yl)propanamide
PubChem CID119308609
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name(2S)-2-amino-N-(1-benzyl-2-oxopyrrolidin-3-yl)propanamide
SMILESC[C@H](N)C(=O)NC1CCN(Cc2ccccc2)C1=O
InChIInChI=1S/C14H19N3O2/c1-10(15)13(18)16-12-7-8-17(14(12)19)9-11-5-3-2-4-6-11/h2-6,10,12H,7-9,15H2,1H3,(H,16,18)/t10-,12?/m0/s1
InChIKeyCSXBFSAQXBKSKE-NUHJPDEHSA-N
XLogP0.25
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]propanamide
CID 119328850
3-[[1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]amino]-2-methyl-3-oxopropanoic acid
CID 122066411
2-acetamido-N-[(3S)-1-benzyl-2-oxoazepan-3-yl]propanamide
CID 59872516
2-(4-aminophenyl)-N-(1-benzyl-2-oxopyrrolidin-3-yl)acetamide;hydrochloride
CID 119757803
(2S)-2-amino-N-(1-benzylpiperidin-4-yl)propanamide
CID 770488
4-[(1-benzyl-2-oxopyrrolidin-3-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120674455
2-[(1-benzyl-2-oxopyrrolidin-3-yl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120977235
N-(1-benzyl-2-oxopyrrolidin-3-yl)-3-piperidin-4-ylbutanamide
CID 119757834
(2S)-2-amino-N-(1-benzylpyrrolidin-3-yl)propanamide
CID 66565242
(3S)-N-[(3R)-1-benzyl-2-oxopyrrolidin-3-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 97315046
N-[(3S)-1-benzyl-2-oxopyrrolidin-3-yl]-2-(2,3-difluorophenyl)acetamide
CID 97222893
(3S)-N-[(3S)-1-benzyl-2-oxopyrrolidin-3-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 97315048

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(1-benzyl-2-oxopyrrolidin-3-yl)propanamide?
The IUPAC name of (2S)-2-amino-N-(1-benzyl-2-oxopyrrolidin-3-yl)propanamide (CID 119308609) is (2S)-2-amino-N-(1-benzyl-2-oxopyrrolidin-3-yl)propanamide.
What is the SMILES notation for (2S)-2-amino-N-(1-benzyl-2-oxopyrrolidin-3-yl)propanamide?
The canonical SMILES for (2S)-2-amino-N-(1-benzyl-2-oxopyrrolidin-3-yl)propanamide is C[C@H](N)C(=O)NC1CCN(Cc2ccccc2)C1=O.
What is the InChIKey of (2S)-2-amino-N-(1-benzyl-2-oxopyrrolidin-3-yl)propanamide?
The InChIKey is CSXBFSAQXBKSKE-NUHJPDEHSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-10(15)13(18)16-12-7-8-17(14(12)19)9-11-5-3-2-4-6-11/h2-6,10,12H,7-9,15H2,1H3,(H,16,18)/t10-,12?/m0/s1.
What are the key properties of (2S)-2-amino-N-(1-benzyl-2-oxopyrrolidin-3-yl)propanamide?
(2S)-2-amino-N-(1-benzyl-2-oxopyrrolidin-3-yl)propanamide has a molecular weight of 261.32 g/mol, XLogP of 0.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(1-benzyl-2-oxopyrrolidin-3-yl)propanamide is sourced from PubChem (CID 119308609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).