cis-(1S,3R)-3-(3-cyclopentylpropylcarbamoyl)cyclopentane-1-carboxylic acid

C15H25NO3 — CID 114136262

IUPACcis-(1S,3R)-3-(3-cyclopentylpropylcarbamoyl)cyclopentane-1-carboxylic acid
SMILESO=C(O)[C@H]1CC[C@@H](C(=O)NCCCC2CCCC2)C1
InChIInChI=1S/C15H25NO3/c17-14(12-7-8-13(10-12)15(18)19)16-9-3-6-11-4-1-2-5-11/h11-13H,1-10H2,(H,16,17)(H,18,19)/t12-,13+/m1/s1
InChIKeyAEQQBPBPRQJBES-OLZOCXBDSA-N
MW267.37 g/mol
LogP2.57
Rot. Bonds6

About cis-(1S,3R)-3-(3-cyclopentylpropylcarbamoyl)cyclopentane-1-carboxylic acid

cis-(1S,3R)-3-(3-cyclopentylpropylcarbamoyl)cyclopentane-1-carboxylic acid (PubChem CID 114136262) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is cis-(1S,3R)-3-(3-cyclopentylpropylcarbamoyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,3R)-3-(3-cyclopentylpropylcarbamoyl)cyclopentane-1-carboxylic acid
PubChem CID114136262
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Namecis-(1S,3R)-3-(3-cyclopentylpropylcarbamoyl)cyclopentane-1-carboxylic acid
SMILESO=C(O)[C@H]1CC[C@@H](C(=O)NCCCC2CCCC2)C1
InChIInChI=1S/C15H25NO3/c17-14(12-7-8-13(10-12)15(18)19)16-9-3-6-11-4-1-2-5-11/h11-13H,1-10H2,(H,16,17)(H,18,19)/t12-,13+/m1/s1
InChIKeyAEQQBPBPRQJBES-OLZOCXBDSA-N
XLogP2.57
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-cyclopentylpropyl)bicyclo[3.1.0]hexane-3-carboxamide
CID 106015861
2-(3-cyclopentylpropylcarbamoyl)-4-methylcyclopentane-1-carboxylic acid
CID 106003676
cis-(1R,2S)-2-(3-cyclopentylpropylcarbamoyl)-4-ethylcyclopentane-1-carboxylic acid
CID 106003697
3-(3-piperidin-1-ylpropylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103549965
3-[3-(methylamino)propylcarbamoyl]cyclohexane-1-carboxylic acid
CID 55236170
3-(4-methylpentylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103550480
3-(5,5,5-trifluoropentylcarbamoyl)cyclohexane-1-carboxylic acid
CID 115521714
3-cyclohexylpropylcarbamic acid
CID 54479876
3-amino-N-(2-cyclopentylethyl)cyclopentane-1-carboxamide
CID 66010406
N-[3-(3-cyclohexylpropylamino)-3-oxopropyl]cyclohexanecarboxamide
CID 86877893
(2R,5S)-5-(3-cyclopentylpropylcarbamoyl)oxolane-2-carboxylic acid
CID 106003701
3-(cyclobutylmethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63789913

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-(3-cyclopentylpropylcarbamoyl)cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1S,3R)-3-(3-cyclopentylpropylcarbamoyl)cyclopentane-1-carboxylic acid (CID 114136262) is cis-(1S,3R)-3-(3-cyclopentylpropylcarbamoyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,3R)-3-(3-cyclopentylpropylcarbamoyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1S,3R)-3-(3-cyclopentylpropylcarbamoyl)cyclopentane-1-carboxylic acid is O=C(O)[C@H]1CC[C@@H](C(=O)NCCCC2CCCC2)C1.
What is the InChIKey of cis-(1S,3R)-3-(3-cyclopentylpropylcarbamoyl)cyclopentane-1-carboxylic acid?
The InChIKey is AEQQBPBPRQJBES-OLZOCXBDSA-N. The full InChI is InChI=1S/C15H25NO3/c17-14(12-7-8-13(10-12)15(18)19)16-9-3-6-11-4-1-2-5-11/h11-13H,1-10H2,(H,16,17)(H,18,19)/t12-,13+/m1/s1.
What are the key properties of cis-(1S,3R)-3-(3-cyclopentylpropylcarbamoyl)cyclopentane-1-carboxylic acid?
cis-(1S,3R)-3-(3-cyclopentylpropylcarbamoyl)cyclopentane-1-carboxylic acid has a molecular weight of 267.37 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-(3-cyclopentylpropylcarbamoyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 114136262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).