(2S)-5-amino-2-[[(2R,4S)-4-benzylpyrrolidine-2-carbonyl]amino]-5-oxopentanoic acid

C17H23N3O4 — CID 153287183

IUPAC(2S)-5-amino-2-[[(2R,4S)-4-benzylpyrrolidine-2-carbonyl]amino]-5-oxopentanoic acid
SMILESNC(=O)CC[C@H](NC(=O)[C@H]1C[C@H](Cc2ccccc2)CN1)C(=O)O
InChIInChI=1S/C17H23N3O4/c18-15(21)7-6-13(17(23)24)20-16(22)14-9-12(10-19-14)8-11-4-2-1-3-5-11/h1-5,12-14,19H,6-10H2,(H2,18,21)(H,20,22)(H,23,24)/t12-,13-,14+/m0/s1
InChIKeyOXECZXQRNBFOPK-MELADBBJSA-N
MW333.39 g/mol
LogP0.04
Rot. Bonds8

About (2S)-5-amino-2-[[(2R,4S)-4-benzylpyrrolidine-2-carbonyl]amino]-5-oxopentanoic acid

(2S)-5-amino-2-[[(2R,4S)-4-benzylpyrrolidine-2-carbonyl]amino]-5-oxopentanoic acid (PubChem CID 153287183) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is (2S)-5-amino-2-[[(2R,4S)-4-benzylpyrrolidine-2-carbonyl]amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name(2S)-5-amino-2-[[(2R,4S)-4-benzylpyrrolidine-2-carbonyl]amino]-5-oxopentanoic acid
PubChem CID153287183
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC Name(2S)-5-amino-2-[[(2R,4S)-4-benzylpyrrolidine-2-carbonyl]amino]-5-oxopentanoic acid
SMILESNC(=O)CC[C@H](NC(=O)[C@H]1C[C@H](Cc2ccccc2)CN1)C(=O)O
InChIInChI=1S/C17H23N3O4/c18-15(21)7-6-13(17(23)24)20-16(22)14-9-12(10-19-14)8-11-4-2-1-3-5-11/h1-5,12-14,19H,6-10H2,(H2,18,21)(H,20,22)(H,23,24)/t12-,13-,14+/m0/s1
InChIKeyOXECZXQRNBFOPK-MELADBBJSA-N
XLogP0.04
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 50.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (2S)-5-amino-2-[[(2R,4S)-4-benzylpyrrolidine-2-carbonyl]amino]-5-oxopentanoic acid 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

5-amino-5-oxo-2-[[(3S)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino]pentanoic acid
CID 53390036
5-amino-5-oxo-2-[(5-oxopiperazine-2-carbonyl)amino]pentanoic acid
CID 107435545
(2S)-5-amino-2-[(1-benzylazetidine-2-carbonyl)amino]-5-oxopentanoic acid
CID 167753585
(2R)-5-amino-2-(2,3-dihydro-1H-indole-3-carbonylamino)-5-oxopentanoic acid
CID 107830369
CID 68604008
CID 68604008
(2R)-5-amino-5-oxo-2-[[(2R)-piperidine-2-carbonyl]amino]pentanoic acid
CID 107830274
(2S)-5-amino-2-(benzylcarbamoylamino)-5-oxopentanoic acid
CID 61181145
4-[(4-phenylphenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 53398298
(2S)-5-amino-2-(azepane-2-carbonylamino)-5-oxopentanoic acid
CID 64564036
5-amino-2-[[5-amino-5-oxo-2-[(5-oxopyrrolidine-2-carbonyl)amino]pentanoyl]amino]-5-oxopentanoic acid
CID 75097643
sodium;(2S)-5-amino-5-oxo-2-(phenylmethoxycarbonylamino)pentanoic acid;hydride
CID 173433388
benzyl (2S)-5-amino-2-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]-5-oxopentanoate
CID 164977448

Frequently Asked Questions

What is the IUPAC name of (2S)-5-amino-2-[[(2R,4S)-4-benzylpyrrolidine-2-carbonyl]amino]-5-oxopentanoic acid?
The IUPAC name of (2S)-5-amino-2-[[(2R,4S)-4-benzylpyrrolidine-2-carbonyl]amino]-5-oxopentanoic acid (CID 153287183) is (2S)-5-amino-2-[[(2R,4S)-4-benzylpyrrolidine-2-carbonyl]amino]-5-oxopentanoic acid.
What is the SMILES notation for (2S)-5-amino-2-[[(2R,4S)-4-benzylpyrrolidine-2-carbonyl]amino]-5-oxopentanoic acid?
The canonical SMILES for (2S)-5-amino-2-[[(2R,4S)-4-benzylpyrrolidine-2-carbonyl]amino]-5-oxopentanoic acid is NC(=O)CC[C@H](NC(=O)[C@H]1C[C@H](Cc2ccccc2)CN1)C(=O)O.
What is the InChIKey of (2S)-5-amino-2-[[(2R,4S)-4-benzylpyrrolidine-2-carbonyl]amino]-5-oxopentanoic acid?
The InChIKey is OXECZXQRNBFOPK-MELADBBJSA-N. The full InChI is InChI=1S/C17H23N3O4/c18-15(21)7-6-13(17(23)24)20-16(22)14-9-12(10-19-14)8-11-4-2-1-3-5-11/h1-5,12-14,19H,6-10H2,(H2,18,21)(H,20,22)(H,23,24)/t12-,13-,14+/m0/s1.
What are the key properties of (2S)-5-amino-2-[[(2R,4S)-4-benzylpyrrolidine-2-carbonyl]amino]-5-oxopentanoic acid?
(2S)-5-amino-2-[[(2R,4S)-4-benzylpyrrolidine-2-carbonyl]amino]-5-oxopentanoic acid has a molecular weight of 333.39 g/mol, XLogP of 0.04, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-amino-2-[[(2R,4S)-4-benzylpyrrolidine-2-carbonyl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 153287183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).