cis-(1R,2S)-2-[(4-hydroxy-2-methylbutan-2-yl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid

C13H23NO4 — CID 114092992

IUPACcis-(1R,2S)-2-[(4-hydroxy-2-methylbutan-2-yl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid
SMILESCC1C[C@H](C(=O)NC(C)(C)CCO)[C@H](C(=O)O)C1
InChIInChI=1S/C13H23NO4/c1-8-6-9(10(7-8)12(17)18)11(16)14-13(2,3)4-5-15/h8-10,15H,4-7H2,1-3H3,(H,14,16)(H,17,18)/t8?,9-,10+/m0/s1
InChIKeyFSMQOHZGNOWXBP-CBMCFHRWSA-N
MW257.33 g/mol
LogP1.01
Rot. Bonds5

About cis-(1R,2S)-2-[(4-hydroxy-2-methylbutan-2-yl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid

cis-(1R,2S)-2-[(4-hydroxy-2-methylbutan-2-yl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid (PubChem CID 114092992) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is cis-(1R,2S)-2-[(4-hydroxy-2-methylbutan-2-yl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,2S)-2-[(4-hydroxy-2-methylbutan-2-yl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid
PubChem CID114092992
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC Namecis-(1R,2S)-2-[(4-hydroxy-2-methylbutan-2-yl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid
SMILESCC1C[C@H](C(=O)NC(C)(C)CCO)[C@H](C(=O)O)C1
InChIInChI=1S/C13H23NO4/c1-8-6-9(10(7-8)12(17)18)11(16)14-13(2,3)4-5-15/h8-10,15H,4-7H2,1-3H3,(H,14,16)(H,17,18)/t8?,9-,10+/m0/s1
InChIKeyFSMQOHZGNOWXBP-CBMCFHRWSA-N
XLogP1.01
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze cis-(1R,2S)-2-[(4-hydroxy-2-methylbutan-2-yl)carbamoyl]-4-methylcyclopentane-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

4-methyl-2-(2-methylpentan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114391356
N-(4-hydroxy-2-methylbutan-2-yl)-2-methylcyclopropane-1-carboxamide
CID 115870127
3-[(4-hydroxy-2-methylbutan-2-yl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103551222
(1S,6R)-6-[(4-hydroxy-2-methylbutan-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 104962747
2-[(1-methoxy-2-methylpropan-2-yl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 114391355
cis-(1R,2S)-2-(3-ethylpentan-3-ylcarbamoyl)-4-methylcyclopentane-1-carboxylic acid
CID 114092465
N-(4-hydroxy-2-methylbutan-2-yl)cyclobutanecarboxamide
CID 115869890
(2R,5S)-5-[(4-hydroxy-2-methylbutan-2-yl)carbamoyl]oxolane-2-carboxylic acid
CID 102945735
2-[(4-hydroxy-2-methylbutan-2-yl)amino]cyclobutane-1-carboxylic acid
CID 103267800
4-tert-butyl-N-(4-hydroxy-2-methylbutan-2-yl)cyclohexane-1-carboxamide
CID 115968764
N-(4-hydroxy-2-methylbutan-2-yl)-2,2-dimethylcyclopropane-1-carboxamide
CID 103944810
cis-(1R,2S)-2-(2,2-dimethylbutylcarbamoyl)-4-methylcyclopentane-1-carboxylic acid
CID 114093176

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-[(4-hydroxy-2-methylbutan-2-yl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,2S)-2-[(4-hydroxy-2-methylbutan-2-yl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid (CID 114092992) is cis-(1R,2S)-2-[(4-hydroxy-2-methylbutan-2-yl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,2S)-2-[(4-hydroxy-2-methylbutan-2-yl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,2S)-2-[(4-hydroxy-2-methylbutan-2-yl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid is CC1C[C@H](C(=O)NC(C)(C)CCO)[C@H](C(=O)O)C1.
What is the InChIKey of cis-(1R,2S)-2-[(4-hydroxy-2-methylbutan-2-yl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid?
The InChIKey is FSMQOHZGNOWXBP-CBMCFHRWSA-N. The full InChI is InChI=1S/C13H23NO4/c1-8-6-9(10(7-8)12(17)18)11(16)14-13(2,3)4-5-15/h8-10,15H,4-7H2,1-3H3,(H,14,16)(H,17,18)/t8?,9-,10+/m0/s1.
What are the key properties of cis-(1R,2S)-2-[(4-hydroxy-2-methylbutan-2-yl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid?
cis-(1R,2S)-2-[(4-hydroxy-2-methylbutan-2-yl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid has a molecular weight of 257.33 g/mol, XLogP of 1.01, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-[(4-hydroxy-2-methylbutan-2-yl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 114092992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).