(2S,3S)-2-(carbamoylamino)-3-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pentanamide

C18H26N4O3 — CID 8589059

IUPAC(2S,3S)-2-(carbamoylamino)-3-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pentanamide
SMILESCC[C@H](C)[C@H](NC(N)=O)C(=O)NCc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C18H26N4O3/c1-3-12(2)16(21-18(19)25)17(24)20-11-13-6-8-14(9-7-13)22-10-4-5-15(22)23/h6-9,12,16H,3-5,10-11H2,1-2H3,(H,20,24)(H3,19,21,25)/t12-,16-/m0/s1
InChIKeyBWZGLUUGWMLAAN-LRDDRELGSA-N
MW346.43 g/mol
LogP1.51
Rot. Bonds7

About (2S,3S)-2-(carbamoylamino)-3-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pentanamide

(2S,3S)-2-(carbamoylamino)-3-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pentanamide (PubChem CID 8589059) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is (2S,3S)-2-(carbamoylamino)-3-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pentanamide.

Molecular Properties

Compound Name(2S,3S)-2-(carbamoylamino)-3-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pentanamide
PubChem CID8589059
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Name(2S,3S)-2-(carbamoylamino)-3-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pentanamide
SMILESCC[C@H](C)[C@H](NC(N)=O)C(=O)NCc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C18H26N4O3/c1-3-12(2)16(21-18(19)25)17(24)20-11-13-6-8-14(9-7-13)22-10-4-5-15(22)23/h6-9,12,16H,3-5,10-11H2,1-2H3,(H,20,24)(H3,19,21,25)/t12-,16-/m0/s1
InChIKeyBWZGLUUGWMLAAN-LRDDRELGSA-N
XLogP1.51
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2S,3S)-2-(carbamoylamino)-3-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide
CID 24622415
(2S,3R)-2-(carbamoylamino)-3-methyl-N-[(4-methylphenyl)methyl]pentanamide
CID 2671676
(2S)-2-amino-4-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pentanamide;hydrochloride
CID 119694543
N-butan-2-yl-2-[[4-(2-oxopiperidin-1-yl)phenyl]methylcarbamoylamino]propanamide
CID 51127537
(2R)-N-[(2R)-butan-2-yl]-2-[[4-(2-oxopiperidin-1-yl)phenyl]methylcarbamoylamino]propanamide
CID 52527330
[(2R)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 8544713
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide
CID 24551216
N-[(2S,3S)-3-methyl-1-oxo-1-[4-(2-oxopyrrolidin-1-yl)anilino]pentan-2-yl]benzamide
CID 9371180
N-[3-methyl-1-oxo-1-[4-(2-oxopyrrolidin-1-yl)anilino]pentan-2-yl]benzamide
CID 78788339
(2S,3R)-2-(carbamoylamino)-N-[(3,4-dimethoxyphenyl)methyl]-3-methylpentanamide
CID 2126900
2-(2,4-dichlorophenoxy)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide;ethane
CID 144509414
4-amino-3-methoxy-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide
CID 120587440

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-(carbamoylamino)-3-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pentanamide?
The IUPAC name of (2S,3S)-2-(carbamoylamino)-3-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pentanamide (CID 8589059) is (2S,3S)-2-(carbamoylamino)-3-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pentanamide.
What is the SMILES notation for (2S,3S)-2-(carbamoylamino)-3-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pentanamide?
The canonical SMILES for (2S,3S)-2-(carbamoylamino)-3-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pentanamide is CC[C@H](C)[C@H](NC(N)=O)C(=O)NCc1ccc(N2CCCC2=O)cc1.
What is the InChIKey of (2S,3S)-2-(carbamoylamino)-3-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pentanamide?
The InChIKey is BWZGLUUGWMLAAN-LRDDRELGSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-3-12(2)16(21-18(19)25)17(24)20-11-13-6-8-14(9-7-13)22-10-4-5-15(22)23/h6-9,12,16H,3-5,10-11H2,1-2H3,(H,20,24)(H3,19,21,25)/t12-,16-/m0/s1.
What are the key properties of (2S,3S)-2-(carbamoylamino)-3-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pentanamide?
(2S,3S)-2-(carbamoylamino)-3-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pentanamide has a molecular weight of 346.43 g/mol, XLogP of 1.51, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-(carbamoylamino)-3-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pentanamide is sourced from PubChem (CID 8589059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).