(3S,4R)-3-(cyclopropylcarbamoyl)-4-hydroxypyrrolidine-1-carboxylic acid

C9H14N2O4 — CID 68541846

IUPAC(3S,4R)-3-(cyclopropylcarbamoyl)-4-hydroxypyrrolidine-1-carboxylic acid
SMILESO=C(NC1CC1)[C@H]1CN(C(=O)O)C[C@@H]1O
InChIInChI=1S/C9H14N2O4/c12-7-4-11(9(14)15)3-6(7)8(13)10-5-1-2-5/h5-7,12H,1-4H2,(H,10,13)(H,14,15)/t6-,7-/m0/s1
InChIKeyDYIGKRPIHRXBFV-BQBZGAKWSA-N
MW214.22 g/mol
LogP-0.76
Rot. Bonds2

About (3S,4R)-3-(cyclopropylcarbamoyl)-4-hydroxypyrrolidine-1-carboxylic acid

(3S,4R)-3-(cyclopropylcarbamoyl)-4-hydroxypyrrolidine-1-carboxylic acid (PubChem CID 68541846) has the molecular formula C9H14N2O4 and a molecular weight of 214.22 g/mol. Its IUPAC name is (3S,4R)-3-(cyclopropylcarbamoyl)-4-hydroxypyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(3S,4R)-3-(cyclopropylcarbamoyl)-4-hydroxypyrrolidine-1-carboxylic acid
PubChem CID68541846
Molecular FormulaC9H14N2O4
Molecular Weight214.22 g/mol
Exact Mass214.10
IUPAC Name(3S,4R)-3-(cyclopropylcarbamoyl)-4-hydroxypyrrolidine-1-carboxylic acid
SMILESO=C(NC1CC1)[C@H]1CN(C(=O)O)C[C@@H]1O
InChIInChI=1S/C9H14N2O4/c12-7-4-11(9(14)15)3-6(7)8(13)10-5-1-2-5/h5-7,12H,1-4H2,(H,10,13)(H,14,15)/t6-,7-/m0/s1
InChIKeyDYIGKRPIHRXBFV-BQBZGAKWSA-N
XLogP-0.76
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 5-0.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (3S,4R)-3-(cyclopropylcarbamoyl)-4-hydroxypyrrolidine-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

Related Compounds

N-(1-fluorocyclopropyl)-4-hydroxy-2-oxopyrrolidine-3-carboxamide
CID 142438416
4-hydroxy-2-oxo-N-[1-(trifluoromethoxy)cyclopropyl]pyrrolidine-3-carboxamide
CID 142438438
tert-butyl (3R,4S)-3-(cyclopropylcarbamoyl)-4-hydroxypyrrolidine-1-carboxylate
CID 24782027
tert-butyl (3S,4R)-3-(cyclopropylcarbamoyl)-4-hydroxypyrrolidine-1-carboxylate
CID 24782028
(3S,4R)-3-[(cyclopropylamino)methyl]-4-hydroxypyrrolidine-1-carboxylic acid
CID 68538860
(3R,4S)-3-[(cyclopropylamino)methyl]-4-hydroxypyrrolidine-1-carboxylic acid
CID 68543064
(3R,4S)-3-(cyclopropylcarbamoyl)-4-hydroxypyrrolidine-1-carboxylic acid
CID 68544778
N-cyclopropyl-4-hydroxypyrrolidine-3-carboxamide
CID 68545019
(3S,4S)-3-[(cyclopropylamino)methyl]-4-hydroxypyrrolidine-1-carboxylic acid
CID 69307424
(3R,4R)-3-[(cyclopropylamino)methyl]-4-hydroxypyrrolidine-1-carboxylic acid
CID 69322105
(3R,4S)-N-cyclopropyl-4-hydroxypyrrolidine-3-carboxamide
CID 69332268
3-[(Cyclopropylamino)methyl]-4-hydroxypyrrolidine-1-carboxylic acid
CID 77511569

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-(cyclopropylcarbamoyl)-4-hydroxypyrrolidine-1-carboxylic acid?
The IUPAC name of (3S,4R)-3-(cyclopropylcarbamoyl)-4-hydroxypyrrolidine-1-carboxylic acid (CID 68541846) is (3S,4R)-3-(cyclopropylcarbamoyl)-4-hydroxypyrrolidine-1-carboxylic acid.
What is the SMILES notation for (3S,4R)-3-(cyclopropylcarbamoyl)-4-hydroxypyrrolidine-1-carboxylic acid?
The canonical SMILES for (3S,4R)-3-(cyclopropylcarbamoyl)-4-hydroxypyrrolidine-1-carboxylic acid is O=C(NC1CC1)[C@H]1CN(C(=O)O)C[C@@H]1O.
What is the InChIKey of (3S,4R)-3-(cyclopropylcarbamoyl)-4-hydroxypyrrolidine-1-carboxylic acid?
The InChIKey is DYIGKRPIHRXBFV-BQBZGAKWSA-N. The full InChI is InChI=1S/C9H14N2O4/c12-7-4-11(9(14)15)3-6(7)8(13)10-5-1-2-5/h5-7,12H,1-4H2,(H,10,13)(H,14,15)/t6-,7-/m0/s1.
What are the key properties of (3S,4R)-3-(cyclopropylcarbamoyl)-4-hydroxypyrrolidine-1-carboxylic acid?
(3S,4R)-3-(cyclopropylcarbamoyl)-4-hydroxypyrrolidine-1-carboxylic acid has a molecular weight of 214.22 g/mol, XLogP of -0.76, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-(cyclopropylcarbamoyl)-4-hydroxypyrrolidine-1-carboxylic acid is sourced from PubChem (CID 68541846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).