(3S)-3-amino-3-(2-methylphenyl)-N-(2-oxopyrrolidin-3-yl)propanamide

C14H19N3O2 — CID 71071009

IUPAC(3S)-3-amino-3-(2-methylphenyl)-N-(2-oxopyrrolidin-3-yl)propanamide
SMILESCc1ccccc1[C@@H](N)CC(=O)NC1CCNC1=O
InChIInChI=1S/C14H19N3O2/c1-9-4-2-3-5-10(9)11(15)8-13(18)17-12-6-7-16-14(12)19/h2-5,11-12H,6-8,15H2,1H3,(H,16,19)(H,17,18)/t11-,12?/m0/s1
InChIKeyXIOXVRSNPHPOIP-PXYINDEMSA-N
MW261.32 g/mol
LogP0.39
Rot. Bonds4

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

(3S)-3-amino-3-(2-methylphenyl)-N-(2-oxopyrrolidin-3-yl)propanamide (PubChem CID 71071009) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is (3S)-3-amino-3-(2-methylphenyl)-N-(2-oxopyrrolidin-3-yl)propanamide.

Molecular Properties

Compound Name(3S)-3-amino-3-(2-methylphenyl)-N-(2-oxopyrrolidin-3-yl)propanamide
PubChem CID71071009
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name(3S)-3-amino-3-(2-methylphenyl)-N-(2-oxopyrrolidin-3-yl)propanamide
SMILESCc1ccccc1[C@@H](N)CC(=O)NC1CCNC1=O
InChIInChI=1S/C14H19N3O2/c1-9-4-2-3-5-10(9)11(15)8-13(18)17-12-6-7-16-14(12)19/h2-5,11-12H,6-8,15H2,1H3,(H,16,19)(H,17,18)/t11-,12?/m0/s1
InChIKeyXIOXVRSNPHPOIP-PXYINDEMSA-N
XLogP0.39
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-3-(2-methylphenyl)-N-(2-oxopyrrolidin-3-yl)propanamide?
The IUPAC name of (3S)-3-amino-3-(2-methylphenyl)-N-(2-oxopyrrolidin-3-yl)propanamide (CID 71071009) is (3S)-3-amino-3-(2-methylphenyl)-N-(2-oxopyrrolidin-3-yl)propanamide.
What is the SMILES notation for (3S)-3-amino-3-(2-methylphenyl)-N-(2-oxopyrrolidin-3-yl)propanamide?
The canonical SMILES for (3S)-3-amino-3-(2-methylphenyl)-N-(2-oxopyrrolidin-3-yl)propanamide is Cc1ccccc1[C@@H](N)CC(=O)NC1CCNC1=O.
What is the InChIKey of (3S)-3-amino-3-(2-methylphenyl)-N-(2-oxopyrrolidin-3-yl)propanamide?
The InChIKey is XIOXVRSNPHPOIP-PXYINDEMSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-9-4-2-3-5-10(9)11(15)8-13(18)17-12-6-7-16-14(12)19/h2-5,11-12H,6-8,15H2,1H3,(H,16,19)(H,17,18)/t11-,12?/m0/s1.
What are the key properties of (3S)-3-amino-3-(2-methylphenyl)-N-(2-oxopyrrolidin-3-yl)propanamide?
(3S)-3-amino-3-(2-methylphenyl)-N-(2-oxopyrrolidin-3-yl)propanamide has a molecular weight of 261.32 g/mol, XLogP of 0.39, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-3-(2-methylphenyl)-N-(2-oxopyrrolidin-3-yl)propanamide is sourced from PubChem (CID 71071009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).