(3S)-4-oxo-3-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoic acid

C10H16N2O4 — CID 143102734

IUPAC(3S)-4-oxo-3-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoic acid
SMILESCC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1
InChIInChI=1S/C10H16N2O4/c1-6(13)8(5-9(14)15)12-10(16)7-3-2-4-11-7/h7-8,11H,2-5H2,1H3,(H,12,16)(H,14,15)/t7-,8-/m0/s1
InChIKeyXBUJTTFJOZUCOQ-YUMQZZPRSA-N
MW228.25 g/mol
LogP-0.71
Rot. Bonds5

About (3S)-4-oxo-3-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoic acid

(3S)-4-oxo-3-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoic acid (PubChem CID 143102734) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is (3S)-4-oxo-3-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoic acid.

Molecular Properties

Compound Name(3S)-4-oxo-3-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoic acid
PubChem CID143102734
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Name(3S)-4-oxo-3-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoic acid
SMILESCC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1
InChIInChI=1S/C10H16N2O4/c1-6(13)8(5-9(14)15)12-10(16)7-3-2-4-11-7/h7-8,11H,2-5H2,1H3,(H,12,16)(H,14,15)/t7-,8-/m0/s1
InChIKeyXBUJTTFJOZUCOQ-YUMQZZPRSA-N
XLogP-0.71
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 5-0.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[(2S)-1-amino-3-oxobutan-2-yl]pyrrolidine-2-carboxamide
CID 170382323
2-[[3-carboxy-2-(pyrrolidine-2-carbonylamino)propanoyl]amino]butanedioic acid
CID 18223477
(3S)-4-[[(1S)-1-carboxy-2-hydroxyethyl]amino]-4-oxo-3-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoic acid
CID 145457422
2-[[2-(pyrrolidine-2-carbonylamino)-3-sulfanylpropanoyl]amino]butanedioic acid
CID 18223497
2-[[3-hydroxy-2-(pyrrolidine-2-carbonylamino)propanoyl]amino]butanedioic acid
CID 18223690
N-[(2R)-1-amino-1-oxobutan-2-yl]pyrrolidine-2-carboxamide
CID 163300708
(2R)-3-hydroxy-2-(pyrrolidine-2-carbonylamino)propanoic acid
CID 80751621
(2R)-4-amino-4-oxo-2-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoic acid
CID 103870279
(2S)-2-(pyrrolidine-2-carbonylamino)pentanedioic acid
CID 61159815
4-amino-2-[[3-carboxy-2-(pyrrolidine-2-carbonylamino)propanoyl]amino]-4-oxobutanoic acid
CID 18223476
4-hydroxy-2-[[(2R)-pyrrolidine-2-carbonyl]amino]butanoic acid
CID 104901043
2-[[(2R)-piperidine-2-carbonyl]amino]butanoic acid
CID 104913581

Frequently Asked Questions

What is the IUPAC name of (3S)-4-oxo-3-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoic acid?
The IUPAC name of (3S)-4-oxo-3-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoic acid (CID 143102734) is (3S)-4-oxo-3-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoic acid.
What is the SMILES notation for (3S)-4-oxo-3-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoic acid?
The canonical SMILES for (3S)-4-oxo-3-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoic acid is CC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1.
What is the InChIKey of (3S)-4-oxo-3-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoic acid?
The InChIKey is XBUJTTFJOZUCOQ-YUMQZZPRSA-N. The full InChI is InChI=1S/C10H16N2O4/c1-6(13)8(5-9(14)15)12-10(16)7-3-2-4-11-7/h7-8,11H,2-5H2,1H3,(H,12,16)(H,14,15)/t7-,8-/m0/s1.
What are the key properties of (3S)-4-oxo-3-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoic acid?
(3S)-4-oxo-3-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoic acid has a molecular weight of 228.25 g/mol, XLogP of -0.71, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-oxo-3-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoic acid is sourced from PubChem (CID 143102734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).