cis-(1R,2S)-2-(3-cyclopentylpropylcarbamoyl)-4-ethylcyclopentane-1-carboxylic acid

C17H29NO3 — CID 106003697

IUPACcis-(1R,2S)-2-(3-cyclopentylpropylcarbamoyl)-4-ethylcyclopentane-1-carboxylic acid
SMILESCCC1C[C@H](C(=O)NCCCC2CCCC2)[C@H](C(=O)O)C1
InChIInChI=1S/C17H29NO3/c1-2-12-10-14(15(11-12)17(20)21)16(19)18-9-5-8-13-6-3-4-7-13/h12-15H,2-11H2,1H3,(H,18,19)(H,20,21)/t12?,14-,15+/m0/s1
InChIKeyGEJPOEINTRDCJK-JQXSQYPDSA-N
MW295.42 g/mol
LogP3.21
Rot. Bonds7

About cis-(1R,2S)-2-(3-cyclopentylpropylcarbamoyl)-4-ethylcyclopentane-1-carboxylic acid

cis-(1R,2S)-2-(3-cyclopentylpropylcarbamoyl)-4-ethylcyclopentane-1-carboxylic acid (PubChem CID 106003697) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is cis-(1R,2S)-2-(3-cyclopentylpropylcarbamoyl)-4-ethylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,2S)-2-(3-cyclopentylpropylcarbamoyl)-4-ethylcyclopentane-1-carboxylic acid
PubChem CID106003697
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Namecis-(1R,2S)-2-(3-cyclopentylpropylcarbamoyl)-4-ethylcyclopentane-1-carboxylic acid
SMILESCCC1C[C@H](C(=O)NCCCC2CCCC2)[C@H](C(=O)O)C1
InChIInChI=1S/C17H29NO3/c1-2-12-10-14(15(11-12)17(20)21)16(19)18-9-5-8-13-6-3-4-7-13/h12-15H,2-11H2,1H3,(H,18,19)(H,20,21)/t12?,14-,15+/m0/s1
InChIKeyGEJPOEINTRDCJK-JQXSQYPDSA-N
XLogP3.21
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 53.21
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

2-(3-cyclopropylpropylcarbamoyl)-4-ethylcyclopentane-1-carboxylic acid
CID 114512158
2-(3-cyclopentylpropylcarbamoyl)-4-methylcyclopentane-1-carboxylic acid
CID 106003676
cis-(1R,2S)-4-ethyl-2-(4-hydroxypentylcarbamoyl)cyclopentane-1-carboxylic acid
CID 106120354
4-ethyl-2-(4-methoxybutylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114511716
cis-(1S,3R)-3-(3-cyclopentylpropylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114136262
4-ethyl-2-(3-propan-2-yloxypropylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114511517
2-(2-cyclopentylethylcarbamoyl)cyclobutane-1-carboxylic acid
CID 120975015
cis-(1R,2S)-2-(2,2-dimethylbutylcarbamoyl)-4-ethylcyclopentane-1-carboxylic acid
CID 114093178
cis-(1R,2S)-2-(cyclopentyloxycarbamoyl)-4-ethylcyclopentane-1-carboxylic acid
CID 114092767
2-(2-ethoxyethylcarbamoyl)-4-ethylcyclopentane-1-carboxylic acid
CID 114511477
4-ethyl-2-(2-methylsulfinylethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114512108
4-ethyl-2-[(2-methylcyclopentyl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 107416699

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-(3-cyclopentylpropylcarbamoyl)-4-ethylcyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,2S)-2-(3-cyclopentylpropylcarbamoyl)-4-ethylcyclopentane-1-carboxylic acid (CID 106003697) is cis-(1R,2S)-2-(3-cyclopentylpropylcarbamoyl)-4-ethylcyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,2S)-2-(3-cyclopentylpropylcarbamoyl)-4-ethylcyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,2S)-2-(3-cyclopentylpropylcarbamoyl)-4-ethylcyclopentane-1-carboxylic acid is CCC1C[C@H](C(=O)NCCCC2CCCC2)[C@H](C(=O)O)C1.
What is the InChIKey of cis-(1R,2S)-2-(3-cyclopentylpropylcarbamoyl)-4-ethylcyclopentane-1-carboxylic acid?
The InChIKey is GEJPOEINTRDCJK-JQXSQYPDSA-N. The full InChI is InChI=1S/C17H29NO3/c1-2-12-10-14(15(11-12)17(20)21)16(19)18-9-5-8-13-6-3-4-7-13/h12-15H,2-11H2,1H3,(H,18,19)(H,20,21)/t12?,14-,15+/m0/s1.
What are the key properties of cis-(1R,2S)-2-(3-cyclopentylpropylcarbamoyl)-4-ethylcyclopentane-1-carboxylic acid?
cis-(1R,2S)-2-(3-cyclopentylpropylcarbamoyl)-4-ethylcyclopentane-1-carboxylic acid has a molecular weight of 295.42 g/mol, XLogP of 3.21, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-(3-cyclopentylpropylcarbamoyl)-4-ethylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 106003697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).