(3S)-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-3-carboxamide

C14H24N4O4 — CID 130238024

IUPAC(3S)-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-3-carboxamide
SMILESC[C@@H](O)[C@H](NC(=O)[C@H]1CCN(C(=O)[C@@H]2CCCN2)C1)C(N)=O
InChIInChI=1S/C14H24N4O4/c1-8(19)11(12(15)20)17-13(21)9-4-6-18(7-9)14(22)10-3-2-5-16-10/h8-11,16,19H,2-7H2,1H3,(H2,15,20)(H,17,21)/t8-,9+,10+,11+/m1/s1
InChIKeyHKDXLNSBJRRLGB-RCWTZXSCSA-N
MW312.37 g/mol
LogP-2.06
Rot. Bonds5

About (3S)-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-3-carboxamide

(3S)-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-3-carboxamide (PubChem CID 130238024) has the molecular formula C14H24N4O4 and a molecular weight of 312.37 g/mol. Its IUPAC name is (3S)-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-3-carboxamide
PubChem CID130238024
Molecular FormulaC14H24N4O4
Molecular Weight312.37 g/mol
Exact Mass312.18
IUPAC Name(3S)-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-3-carboxamide
SMILESC[C@@H](O)[C@H](NC(=O)[C@H]1CCN(C(=O)[C@@H]2CCCN2)C1)C(N)=O
InChIInChI=1S/C14H24N4O4/c1-8(19)11(12(15)20)17-13(21)9-4-6-18(7-9)14(22)10-3-2-5-16-10/h8-11,16,19H,2-7H2,1H3,(H2,15,20)(H,17,21)/t8-,9+,10+,11+/m1/s1
InChIKeyHKDXLNSBJRRLGB-RCWTZXSCSA-N
XLogP-2.06
TPSA124.76 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 5-2.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze (3S)-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[(2S,3R)-4-amino-3-hydroxy-4-oxobutan-2-yl]-1-[(2R)-pyrrolidine-2-carbonyl]pyrrolidine-3-carboxamide
CID 118678826
N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-1-(pyrrolidine-3-carbonyl)pyrrolidine-3-carboxamide
CID 130237986
N-propan-2-yl-1-[(2R)-pyrrolidine-2-carbonyl]piperidine-3-carboxamide
CID 53015059
(3S)-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-1-[(3S)-1-[(2S,3R)-3-hydroxy-2-methylbutanoyl]pyrrolidine-3-carbonyl]pyrrolidine-3-carboxamide
CID 130258507
(3S)-1-[(2S)-1-[(2S,3R)-2-amino-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]pyrrolidine-3-carboxamide
CID 130238042
1-[(2S)-pyrrolidine-2-carbonyl]piperidine-4-carboxamide
CID 7175999
N-methyl-1-[(2S)-piperidine-2-carbonyl]piperidine-3-carboxamide;hydrochloride
CID 119783429
1-(pyrrolidine-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 10081902
(3S)-3-[(2S)-2-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylic acid
CID 130238004
(2S)-4-methyl-2-[[1-[(2S)-pyrrolidine-2-carbonyl]piperidine-4-carbonyl]amino]pentanoic acid;hydrochloride
CID 44663757
(3-methylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride
CID 56831888
(4-propan-2-ylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride
CID 119336352

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-3-carboxamide (CID 130238024) is (3S)-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-3-carboxamide is C[C@@H](O)[C@H](NC(=O)[C@H]1CCN(C(=O)[C@@H]2CCCN2)C1)C(N)=O.
What is the InChIKey of (3S)-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-3-carboxamide?
The InChIKey is HKDXLNSBJRRLGB-RCWTZXSCSA-N. The full InChI is InChI=1S/C14H24N4O4/c1-8(19)11(12(15)20)17-13(21)9-4-6-18(7-9)14(22)10-3-2-5-16-10/h8-11,16,19H,2-7H2,1H3,(H2,15,20)(H,17,21)/t8-,9+,10+,11+/m1/s1.
What are the key properties of (3S)-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-3-carboxamide?
(3S)-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-3-carboxamide has a molecular weight of 312.37 g/mol, XLogP of -2.06, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 130238024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).