cis-(1S,5S)-2-methyl-5-(1-oxopropan-2-yl)cyclopentane-1-carboxylic acid

C10H16O3 — CID 130925826

IUPACcis-(1S,5S)-2-methyl-5-(1-oxopropan-2-yl)cyclopentane-1-carboxylic acid
SMILESCC(C=O)[C@@H]1CCC(C)[C@@H]1C(=O)O
InChIInChI=1S/C10H16O3/c1-6-3-4-8(7(2)5-11)9(6)10(12)13/h5-9H,3-4H2,1-2H3,(H,12,13)/t6?,7?,8-,9-/m0/s1
InChIKeyRGTMAXSVLBZNEL-PEBLOWIWSA-N
MW184.24 g/mol
LogP1.57
Rot. Bonds3

About cis-(1S,5S)-2-methyl-5-(1-oxopropan-2-yl)cyclopentane-1-carboxylic acid

cis-(1S,5S)-2-methyl-5-(1-oxopropan-2-yl)cyclopentane-1-carboxylic acid (PubChem CID 130925826) has the molecular formula C10H16O3 and a molecular weight of 184.24 g/mol. Its IUPAC name is cis-(1S,5S)-2-methyl-5-(1-oxopropan-2-yl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,5S)-2-methyl-5-(1-oxopropan-2-yl)cyclopentane-1-carboxylic acid
PubChem CID130925826
Molecular FormulaC10H16O3
Molecular Weight184.24 g/mol
Exact Mass184.11
IUPAC Namecis-(1S,5S)-2-methyl-5-(1-oxopropan-2-yl)cyclopentane-1-carboxylic acid
SMILESCC(C=O)[C@@H]1CCC(C)[C@@H]1C(=O)O
InChIInChI=1S/C10H16O3/c1-6-3-4-8(7(2)5-11)9(6)10(12)13/h5-9H,3-4H2,1-2H3,(H,12,13)/t6?,7?,8-,9-/m0/s1
InChIKeyRGTMAXSVLBZNEL-PEBLOWIWSA-N
XLogP1.57
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

cis-(1R,5R)-2-methyl-5-propan-2-ylcyclopentane-1-carboxylic acid
CID 89365384
(1S,2S,5R)-2-methyl-5-propan-2-ylcyclopentane-1-carboxylic acid
CID 7054177
(1R,2R,5S)-2-[(1S)-1-carboxyethyl]-5-methylcyclopentane-1-carboxylic acid
CID 131215292
(2S)-2,5-dimethylcyclopentane-1-carboxylic acid
CID 55301029
3,6-dimethylcyclohexane-1,2-dicarboxylic acid
CID 18356822
(1S,2R,5S)-2-methyl-5-(1-oxopropan-2-yl)cyclopentane-1-carbaldehyde
CID 15560382
(1R,2R,5S,6S,7S)-2-methyl-5-propan-2-ylbicyclo[4.1.0]heptane-7-carboxylic acid
CID 141201622
(1S,2S,5R)-2-amino-5-methylcyclopentane-1-carboxylic acid
CID 124526527
(1S,2S,5R)-2-acetyl-5-methylcyclopentane-1-carboxylic acid
CID 131165134
2-(3-hydroxy-4-methylcyclohexyl)propanal
CID 130035363
2-(2-methyl-5-propan-2-ylcyclopentyl)acetic acid
CID 121221263
(1S,2R,3S,4S)-3,4-dimethylcyclohexane-1,2-dicarboxylic acid
CID 130754496

Frequently Asked Questions

What is the IUPAC name of cis-(1S,5S)-2-methyl-5-(1-oxopropan-2-yl)cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1S,5S)-2-methyl-5-(1-oxopropan-2-yl)cyclopentane-1-carboxylic acid (CID 130925826) is cis-(1S,5S)-2-methyl-5-(1-oxopropan-2-yl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,5S)-2-methyl-5-(1-oxopropan-2-yl)cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1S,5S)-2-methyl-5-(1-oxopropan-2-yl)cyclopentane-1-carboxylic acid is CC(C=O)[C@@H]1CCC(C)[C@@H]1C(=O)O.
What is the InChIKey of cis-(1S,5S)-2-methyl-5-(1-oxopropan-2-yl)cyclopentane-1-carboxylic acid?
The InChIKey is RGTMAXSVLBZNEL-PEBLOWIWSA-N. The full InChI is InChI=1S/C10H16O3/c1-6-3-4-8(7(2)5-11)9(6)10(12)13/h5-9H,3-4H2,1-2H3,(H,12,13)/t6?,7?,8-,9-/m0/s1.
What are the key properties of cis-(1S,5S)-2-methyl-5-(1-oxopropan-2-yl)cyclopentane-1-carboxylic acid?
cis-(1S,5S)-2-methyl-5-(1-oxopropan-2-yl)cyclopentane-1-carboxylic acid has a molecular weight of 184.24 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,5S)-2-methyl-5-(1-oxopropan-2-yl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 130925826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).