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

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).