2-[(3S,4R)-3,4-dihydroxypyrrolidine-1-carbonyl]-4-ethylcyclopentane-1-carboxylic acid

C13H21NO5 — CID 107214695

IUPAC2-[(3S,4R)-3,4-dihydroxypyrrolidine-1-carbonyl]-4-ethylcyclopentane-1-carboxylic acid
SMILESCCC1CC(C(=O)O)C(C(=O)N2C[C@@H](O)[C@@H](O)C2)C1
InChIInChI=1S/C13H21NO5/c1-2-7-3-8(9(4-7)13(18)19)12(17)14-5-10(15)11(16)6-14/h7-11,15-16H,2-6H2,1H3,(H,18,19)/t7?,8?,9?,10-,11+
InChIKeyBBXQVILFFSEJMS-GKRLLDONSA-N
MW271.31 g/mol
LogP-0.31
Rot. Bonds3

About 2-[(3S,4R)-3,4-dihydroxypyrrolidine-1-carbonyl]-4-ethylcyclopentane-1-carboxylic acid

2-[(3S,4R)-3,4-dihydroxypyrrolidine-1-carbonyl]-4-ethylcyclopentane-1-carboxylic acid (PubChem CID 107214695) has the molecular formula C13H21NO5 and a molecular weight of 271.31 g/mol. Its IUPAC name is 2-[(3S,4R)-3,4-dihydroxypyrrolidine-1-carbonyl]-4-ethylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(3S,4R)-3,4-dihydroxypyrrolidine-1-carbonyl]-4-ethylcyclopentane-1-carboxylic acid
PubChem CID107214695
Molecular FormulaC13H21NO5
Molecular Weight271.31 g/mol
Exact Mass271.14
IUPAC Name2-[(3S,4R)-3,4-dihydroxypyrrolidine-1-carbonyl]-4-ethylcyclopentane-1-carboxylic acid
SMILESCCC1CC(C(=O)O)C(C(=O)N2C[C@@H](O)[C@@H](O)C2)C1
InChIInChI=1S/C13H21NO5/c1-2-7-3-8(9(4-7)13(18)19)12(17)14-5-10(15)11(16)6-14/h7-11,15-16H,2-6H2,1H3,(H,18,19)/t7?,8?,9?,10-,11+
InChIKeyBBXQVILFFSEJMS-GKRLLDONSA-N
XLogP-0.31
TPSA98.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[(3S,4R)-3,4-dihydroxypyrrolidine-1-carbonyl]-4-ethylcyclopentane-1-carboxylic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(3S,4R)-3,4-dihydroxypyrrolidine-1-carbonyl]-4-ethylcyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(3S,4R)-3,4-dihydroxypyrrolidine-1-carbonyl]-4-ethylcyclopentane-1-carboxylic acid (CID 107214695) is 2-[(3S,4R)-3,4-dihydroxypyrrolidine-1-carbonyl]-4-ethylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(3S,4R)-3,4-dihydroxypyrrolidine-1-carbonyl]-4-ethylcyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(3S,4R)-3,4-dihydroxypyrrolidine-1-carbonyl]-4-ethylcyclopentane-1-carboxylic acid is CCC1CC(C(=O)O)C(C(=O)N2C[C@@H](O)[C@@H](O)C2)C1.
What is the InChIKey of 2-[(3S,4R)-3,4-dihydroxypyrrolidine-1-carbonyl]-4-ethylcyclopentane-1-carboxylic acid?
The InChIKey is BBXQVILFFSEJMS-GKRLLDONSA-N. The full InChI is InChI=1S/C13H21NO5/c1-2-7-3-8(9(4-7)13(18)19)12(17)14-5-10(15)11(16)6-14/h7-11,15-16H,2-6H2,1H3,(H,18,19)/t7?,8?,9?,10-,11+.
What are the key properties of 2-[(3S,4R)-3,4-dihydroxypyrrolidine-1-carbonyl]-4-ethylcyclopentane-1-carboxylic acid?
2-[(3S,4R)-3,4-dihydroxypyrrolidine-1-carbonyl]-4-ethylcyclopentane-1-carboxylic acid has a molecular weight of 271.31 g/mol, XLogP of -0.31, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S,4R)-3,4-dihydroxypyrrolidine-1-carbonyl]-4-ethylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 107214695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).