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

C16H19NO3 — CID 64813061

IUPAC2-[(1-phenylcyclopropanecarbonyl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1NC(=O)C1(c2ccccc2)CC1
InChIInChI=1S/C16H19NO3/c18-14(19)12-7-4-8-13(12)17-15(20)16(9-10-16)11-5-2-1-3-6-11/h1-3,5-6,12-13H,4,7-10H2,(H,17,20)(H,18,19)
InChIKeyMSHQHGQMWBGTSA-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.09
Rot. Bonds4

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

2-[(1-phenylcyclopropanecarbonyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 64813061) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 2-[(1-phenylcyclopropanecarbonyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(1-phenylcyclopropanecarbonyl)amino]cyclopentane-1-carboxylic acid
PubChem CID64813061
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name2-[(1-phenylcyclopropanecarbonyl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1NC(=O)C1(c2ccccc2)CC1
InChIInChI=1S/C16H19NO3/c18-14(19)12-7-4-8-13(12)17-15(20)16(9-10-16)11-5-2-1-3-6-11/h1-3,5-6,12-13H,4,7-10H2,(H,17,20)(H,18,19)
InChIKeyMSHQHGQMWBGTSA-UHFFFAOYSA-N
XLogP2.09
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 ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-phenylcyclopropanecarbonyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(1-phenylcyclopropanecarbonyl)amino]cyclopentane-1-carboxylic acid (CID 64813061) is 2-[(1-phenylcyclopropanecarbonyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(1-phenylcyclopropanecarbonyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(1-phenylcyclopropanecarbonyl)amino]cyclopentane-1-carboxylic acid is O=C(O)C1CCCC1NC(=O)C1(c2ccccc2)CC1.
What is the InChIKey of 2-[(1-phenylcyclopropanecarbonyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is MSHQHGQMWBGTSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c18-14(19)12-7-4-8-13(12)17-15(20)16(9-10-16)11-5-2-1-3-6-11/h1-3,5-6,12-13H,4,7-10H2,(H,17,20)(H,18,19).
What are the key properties of 2-[(1-phenylcyclopropanecarbonyl)amino]cyclopentane-1-carboxylic acid?
2-[(1-phenylcyclopropanecarbonyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 273.33 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-phenylcyclopropanecarbonyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 64813061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).