1-[(2-phenylcyclopropanecarbonyl)amino]cyclopentane-1-carboxylic acid

C16H19NO3 — CID 78971312

IUPAC1-[(2-phenylcyclopropanecarbonyl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCCC1)C1CC1c1ccccc1
InChIInChI=1S/C16H19NO3/c18-14(17-16(15(19)20)8-4-5-9-16)13-10-12(13)11-6-2-1-3-7-11/h1-3,6-7,12-13H,4-5,8-10H2,(H,17,18)(H,19,20)
InChIKeyZPWIBSIFLALPDQ-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.30
Rot. Bonds4

About 1-[(2-phenylcyclopropanecarbonyl)amino]cyclopentane-1-carboxylic acid

1-[(2-phenylcyclopropanecarbonyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 78971312) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 1-[(2-phenylcyclopropanecarbonyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2-phenylcyclopropanecarbonyl)amino]cyclopentane-1-carboxylic acid
PubChem CID78971312
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name1-[(2-phenylcyclopropanecarbonyl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCCC1)C1CC1c1ccccc1
InChIInChI=1S/C16H19NO3/c18-14(17-16(15(19)20)8-4-5-9-16)13-10-12(13)11-6-2-1-3-7-11/h1-3,6-7,12-13H,4-5,8-10H2,(H,17,18)(H,19,20)
InChIKeyZPWIBSIFLALPDQ-UHFFFAOYSA-N
XLogP2.30
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-phenylcyclopropanecarbonyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[(2-phenylcyclopropanecarbonyl)amino]cyclopentane-1-carboxylic acid (CID 78971312) is 1-[(2-phenylcyclopropanecarbonyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[(2-phenylcyclopropanecarbonyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[(2-phenylcyclopropanecarbonyl)amino]cyclopentane-1-carboxylic acid is O=C(NC1(C(=O)O)CCCC1)C1CC1c1ccccc1.
What is the InChIKey of 1-[(2-phenylcyclopropanecarbonyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is ZPWIBSIFLALPDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c18-14(17-16(15(19)20)8-4-5-9-16)13-10-12(13)11-6-2-1-3-7-11/h1-3,6-7,12-13H,4-5,8-10H2,(H,17,18)(H,19,20).
What are the key properties of 1-[(2-phenylcyclopropanecarbonyl)amino]cyclopentane-1-carboxylic acid?
1-[(2-phenylcyclopropanecarbonyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 273.33 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-phenylcyclopropanecarbonyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 78971312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).