2-[propan-2-yl(prop-2-enyl)carbamoyl]cyclopentane-1-carboxylic acid

C13H21NO3 — CID 103978411

IUPAC2-[propan-2-yl(prop-2-enyl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESC=CCN(C(=O)C1CCCC1C(=O)O)C(C)C
InChIInChI=1S/C13H21NO3/c1-4-8-14(9(2)3)12(15)10-6-5-7-11(10)13(16)17/h4,9-11H,1,5-8H2,2-3H3,(H,16,17)
InChIKeyFIFBYQCYLGIHOE-UHFFFAOYSA-N
MW239.31 g/mol
LogP1.91
Rot. Bonds5

About 2-[propan-2-yl(prop-2-enyl)carbamoyl]cyclopentane-1-carboxylic acid

2-[propan-2-yl(prop-2-enyl)carbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 103978411) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 2-[propan-2-yl(prop-2-enyl)carbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[propan-2-yl(prop-2-enyl)carbamoyl]cyclopentane-1-carboxylic acid
PubChem CID103978411
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name2-[propan-2-yl(prop-2-enyl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESC=CCN(C(=O)C1CCCC1C(=O)O)C(C)C
InChIInChI=1S/C13H21NO3/c1-4-8-14(9(2)3)12(15)10-6-5-7-11(10)13(16)17/h4,9-11H,1,5-8H2,2-3H3,(H,16,17)
InChIKeyFIFBYQCYLGIHOE-UHFFFAOYSA-N
XLogP1.91
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[propan-2-yl(prop-2-enyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 60948460
cis-(1S,2R)-2-[bis(prop-2-enyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 7040089
cis-(1S,2R)-2-[3-hydroxypropyl(propan-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 93469209
2-[di(propan-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 3791717
N-propan-2-yl-N-prop-2-enylazepane-2-carboxamide
CID 64562282
2-[2-methylpropyl(pentan-3-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 79490717
cis-(1R,2S)-2-[bis(2-methylpropyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 847386
2-[(2-methylcyclopentanecarbonyl)-prop-2-enylamino]acetic acid
CID 107175695
2-[ethyl(1-ethylsulfonylpropan-2-yl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120976163
cis-(1S,2R)-2-[ethyl(propan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 93311627
2-[bis(prop-2-enyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 114390269
N-(3-chloropropyl)-2-methyl-N-propan-2-ylcyclopentane-1-carboxamide
CID 107183830

Frequently Asked Questions

What is the IUPAC name of 2-[propan-2-yl(prop-2-enyl)carbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[propan-2-yl(prop-2-enyl)carbamoyl]cyclopentane-1-carboxylic acid (CID 103978411) is 2-[propan-2-yl(prop-2-enyl)carbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[propan-2-yl(prop-2-enyl)carbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[propan-2-yl(prop-2-enyl)carbamoyl]cyclopentane-1-carboxylic acid is C=CCN(C(=O)C1CCCC1C(=O)O)C(C)C.
What is the InChIKey of 2-[propan-2-yl(prop-2-enyl)carbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is FIFBYQCYLGIHOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-4-8-14(9(2)3)12(15)10-6-5-7-11(10)13(16)17/h4,9-11H,1,5-8H2,2-3H3,(H,16,17).
What are the key properties of 2-[propan-2-yl(prop-2-enyl)carbamoyl]cyclopentane-1-carboxylic acid?
2-[propan-2-yl(prop-2-enyl)carbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 239.31 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[propan-2-yl(prop-2-enyl)carbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103978411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).