3-[(2-prop-2-enoxybenzoyl)amino]cyclopentane-1-carboxylic acid

C16H19NO4 — CID 66032902

IUPAC3-[(2-prop-2-enoxybenzoyl)amino]cyclopentane-1-carboxylic acid
SMILESC=CCOc1ccccc1C(=O)NC1CCC(C(=O)O)C1
InChIInChI=1S/C16H19NO4/c1-2-9-21-14-6-4-3-5-13(14)15(18)17-12-8-7-11(10-12)16(19)20/h2-6,11-12H,1,7-10H2,(H,17,18)(H,19,20)
InChIKeyQIHVMFFTVCCDRV-UHFFFAOYSA-N
MW289.33 g/mol
LogP2.23
Rot. Bonds6

About 3-[(2-prop-2-enoxybenzoyl)amino]cyclopentane-1-carboxylic acid

3-[(2-prop-2-enoxybenzoyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 66032902) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is 3-[(2-prop-2-enoxybenzoyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(2-prop-2-enoxybenzoyl)amino]cyclopentane-1-carboxylic acid
PubChem CID66032902
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Name3-[(2-prop-2-enoxybenzoyl)amino]cyclopentane-1-carboxylic acid
SMILESC=CCOc1ccccc1C(=O)NC1CCC(C(=O)O)C1
InChIInChI=1S/C16H19NO4/c1-2-9-21-14-6-4-3-5-13(14)15(18)17-12-8-7-11(10-12)16(19)20/h2-6,11-12H,1,7-10H2,(H,17,18)(H,19,20)
InChIKeyQIHVMFFTVCCDRV-UHFFFAOYSA-N
XLogP2.23
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

cis-(1S,3R)-3-[(2-ethoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120677160
N-(4-aminocyclohexyl)-2-prop-2-enoxybenzamide;hydrochloride
CID 119478882
N-(2-methylpiperidin-4-yl)-2-prop-2-enoxybenzamide;hydrochloride
CID 120599440
N-piperidin-4-yl-2-prop-2-enoxybenzamide
CID 119390242
N'-(cyclopropanecarbonyl)-2-prop-2-enoxybenzohydrazide
CID 4929134
2-prop-2-enoxy-N-(1-sulfamoylpiperidin-4-yl)benzamide
CID 126831789
trans-(1R,3R)-3-[(2-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 97318284
cis-(1S,3R)-3-[4-[(2-ethoxybenzoyl)amino]butanoylamino]cyclopentane-1-carboxylic acid
CID 120675480
N-[(1S,2S)-2-hydroxycyclohexyl]-2-prop-2-enoxybenzamide
CID 104957272
N-[2-(hydroxymethyl)cyclohexyl]-2-prop-2-enoxybenzamide
CID 106364464
3-[(2-aminobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 66032352
cis-(1S,3R)-3-[[2-(methoxymethyl)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 120676087

Frequently Asked Questions

What is the IUPAC name of 3-[(2-prop-2-enoxybenzoyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[(2-prop-2-enoxybenzoyl)amino]cyclopentane-1-carboxylic acid (CID 66032902) is 3-[(2-prop-2-enoxybenzoyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[(2-prop-2-enoxybenzoyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[(2-prop-2-enoxybenzoyl)amino]cyclopentane-1-carboxylic acid is C=CCOc1ccccc1C(=O)NC1CCC(C(=O)O)C1.
What is the InChIKey of 3-[(2-prop-2-enoxybenzoyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is QIHVMFFTVCCDRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4/c1-2-9-21-14-6-4-3-5-13(14)15(18)17-12-8-7-11(10-12)16(19)20/h2-6,11-12H,1,7-10H2,(H,17,18)(H,19,20).
What are the key properties of 3-[(2-prop-2-enoxybenzoyl)amino]cyclopentane-1-carboxylic acid?
3-[(2-prop-2-enoxybenzoyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 289.33 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-prop-2-enoxybenzoyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 66032902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).