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

C13H23NO5 — CID 114210287

IUPACcis-(1R,2S)-2-[(1-hydroxy-4-methoxybutan-2-yl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid
SMILESCOCCC(CO)NC(=O)[C@H]1CC(C)C[C@H]1C(=O)O
InChIInChI=1S/C13H23NO5/c1-8-5-10(11(6-8)13(17)18)12(16)14-9(7-15)3-4-19-2/h8-11,15H,3-7H2,1-2H3,(H,14,16)(H,17,18)/t8?,9?,10-,11+/m0/s1
InChIKeyXZCXJYMWEDMHOZ-WFBLGPOFSA-N
MW273.33 g/mol
LogP0.25
Rot. Bonds7

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

cis-(1R,2S)-2-[(1-hydroxy-4-methoxybutan-2-yl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid (PubChem CID 114210287) has the molecular formula C13H23NO5 and a molecular weight of 273.33 g/mol. Its IUPAC name is cis-(1R,2S)-2-[(1-hydroxy-4-methoxybutan-2-yl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,2S)-2-[(1-hydroxy-4-methoxybutan-2-yl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid
PubChem CID114210287
Molecular FormulaC13H23NO5
Molecular Weight273.33 g/mol
Exact Mass273.16
IUPAC Namecis-(1R,2S)-2-[(1-hydroxy-4-methoxybutan-2-yl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid
SMILESCOCCC(CO)NC(=O)[C@H]1CC(C)C[C@H]1C(=O)O
InChIInChI=1S/C13H23NO5/c1-8-5-10(11(6-8)13(17)18)12(16)14-9(7-15)3-4-19-2/h8-11,15H,3-7H2,1-2H3,(H,14,16)(H,17,18)/t8?,9?,10-,11+/m0/s1
InChIKeyXZCXJYMWEDMHOZ-WFBLGPOFSA-N
XLogP0.25
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze cis-(1R,2S)-2-[(1-hydroxy-4-methoxybutan-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

cis-(1S,2R)-2-[(4-hydroxy-1-methoxybutan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 106155429
2-(1-hydroxybutan-2-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 60942127
N-[(2S)-1-hydroxy-4-methoxybutan-2-yl]acetamide
CID 157037781
2-[(4-hydroxy-3-methylsulfanylbutan-2-yl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 114151191
cis-(1S,2R)-2-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]carbamoyl]cyclopropane-1-carboxylic acid
CID 114092791
2-[(2-hydroxy-1-phenylethyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 114390983
2-(4-hydroxybutan-2-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 83176642
2-[(1-methoxy-2-methylpropan-2-yl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 114391355
2-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]carbamoyl]cyclopropane-1-carboxylic acid
CID 114010079
4-methyl-2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]cyclopentane-1-carboxylic acid
CID 114390822
4-methyl-2-(4-methylhexan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114391108
2-[2-(2-hydroxyethoxy)ethylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 114390553

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-[(1-hydroxy-4-methoxybutan-2-yl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,2S)-2-[(1-hydroxy-4-methoxybutan-2-yl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid (CID 114210287) is cis-(1R,2S)-2-[(1-hydroxy-4-methoxybutan-2-yl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,2S)-2-[(1-hydroxy-4-methoxybutan-2-yl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,2S)-2-[(1-hydroxy-4-methoxybutan-2-yl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid is COCCC(CO)NC(=O)[C@H]1CC(C)C[C@H]1C(=O)O.
What is the InChIKey of cis-(1R,2S)-2-[(1-hydroxy-4-methoxybutan-2-yl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid?
The InChIKey is XZCXJYMWEDMHOZ-WFBLGPOFSA-N. The full InChI is InChI=1S/C13H23NO5/c1-8-5-10(11(6-8)13(17)18)12(16)14-9(7-15)3-4-19-2/h8-11,15H,3-7H2,1-2H3,(H,14,16)(H,17,18)/t8?,9?,10-,11+/m0/s1.
What are the key properties of cis-(1R,2S)-2-[(1-hydroxy-4-methoxybutan-2-yl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid?
cis-(1R,2S)-2-[(1-hydroxy-4-methoxybutan-2-yl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid has a molecular weight of 273.33 g/mol, XLogP of 0.25, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-[(1-hydroxy-4-methoxybutan-2-yl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 114210287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).