(2S)-1-[(4-hydroxycyclohexyl)carbamoyl]pyrrolidine-2-carboxylic acid

C12H20N2O4 — CID 61186326

IUPAC(2S)-1-[(4-hydroxycyclohexyl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1C(=O)NC1CCC(O)CC1
InChIInChI=1S/C12H20N2O4/c15-9-5-3-8(4-6-9)13-12(18)14-7-1-2-10(14)11(16)17/h8-10,15H,1-7H2,(H,13,18)(H,16,17)/t8?,9?,10-/m0/s1
InChIKeyXXMZOUCSPOHBDO-RTBKNWGFSA-N
MW256.30 g/mol
LogP0.55
Rot. Bonds2

About (2S)-1-[(4-hydroxycyclohexyl)carbamoyl]pyrrolidine-2-carboxylic acid

(2S)-1-[(4-hydroxycyclohexyl)carbamoyl]pyrrolidine-2-carboxylic acid (PubChem CID 61186326) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is (2S)-1-[(4-hydroxycyclohexyl)carbamoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-[(4-hydroxycyclohexyl)carbamoyl]pyrrolidine-2-carboxylic acid
PubChem CID61186326
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name(2S)-1-[(4-hydroxycyclohexyl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1C(=O)NC1CCC(O)CC1
InChIInChI=1S/C12H20N2O4/c15-9-5-3-8(4-6-9)13-12(18)14-7-1-2-10(14)11(16)17/h8-10,15H,1-7H2,(H,13,18)(H,16,17)/t8?,9?,10-/m0/s1
InChIKeyXXMZOUCSPOHBDO-RTBKNWGFSA-N
XLogP0.55
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2S)-1-[(4-hydroxycyclohexyl)carbamoyl]pyrrolidine-2-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

(2R)-1-(cyclopentylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 78922982
1-(cyclopropylcarbamoyl)piperidine-2-carboxylic acid
CID 61187930
(2R)-1-(cyclobutylcarbamoyl)piperidine-2-carboxylic acid
CID 94424057
(2R)-1-[(1-methylpiperidin-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 78922873
(2S)-1-[(1,1-dioxothian-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61201651
1-[(1,1-dioxothian-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61201455
1-(piperidin-4-ylcarbamoyl)piperidine-2-carboxylic acid
CID 61402855
(2R)-1-[(1,1-dioxothiolan-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 78923190
(2S)-1-N-cyclohexyl-2-N-cyclopropylpyrrolidine-1,2-dicarboxamide
CID 1445867
1-[(1-methylpiperidin-3-yl)carbamoyl]piperidine-2-carboxylic acid
CID 61223087
(2S)-1-(cyclopropylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 61187010
1-[(1-methylpyrrolidin-3-yl)carbamoyl]piperidine-2-carboxylic acid
CID 54950139

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(4-hydroxycyclohexyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-[(4-hydroxycyclohexyl)carbamoyl]pyrrolidine-2-carboxylic acid (CID 61186326) is (2S)-1-[(4-hydroxycyclohexyl)carbamoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-[(4-hydroxycyclohexyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-[(4-hydroxycyclohexyl)carbamoyl]pyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1CCCN1C(=O)NC1CCC(O)CC1.
What is the InChIKey of (2S)-1-[(4-hydroxycyclohexyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is XXMZOUCSPOHBDO-RTBKNWGFSA-N. The full InChI is InChI=1S/C12H20N2O4/c15-9-5-3-8(4-6-9)13-12(18)14-7-1-2-10(14)11(16)17/h8-10,15H,1-7H2,(H,13,18)(H,16,17)/t8?,9?,10-/m0/s1.
What are the key properties of (2S)-1-[(4-hydroxycyclohexyl)carbamoyl]pyrrolidine-2-carboxylic acid?
(2S)-1-[(4-hydroxycyclohexyl)carbamoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 256.30 g/mol, XLogP of 0.55, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(4-hydroxycyclohexyl)carbamoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 61186326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).