2-[(2-phenylcyclopropyl)carbamoyl]cyclopentane-1-carboxylic acid

C16H19NO3 — CID 103978629

IUPAC2-[(2-phenylcyclopropyl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1C(=O)NC1CC1c1ccccc1
InChIInChI=1S/C16H19NO3/c18-15(11-7-4-8-12(11)16(19)20)17-14-9-13(14)10-5-2-1-3-6-10/h1-3,5-6,11-14H,4,7-9H2,(H,17,18)(H,19,20)
InChIKeyNLNQNXKZCJNZJI-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.16
Rot. Bonds4

About 2-[(2-phenylcyclopropyl)carbamoyl]cyclopentane-1-carboxylic acid

2-[(2-phenylcyclopropyl)carbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 103978629) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 2-[(2-phenylcyclopropyl)carbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(2-phenylcyclopropyl)carbamoyl]cyclopentane-1-carboxylic acid
PubChem CID103978629
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name2-[(2-phenylcyclopropyl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1C(=O)NC1CC1c1ccccc1
InChIInChI=1S/C16H19NO3/c18-15(11-7-4-8-12(11)16(19)20)17-14-9-13(14)10-5-2-1-3-6-10/h1-3,5-6,11-14H,4,7-9H2,(H,17,18)(H,19,20)
InChIKeyNLNQNXKZCJNZJI-UHFFFAOYSA-N
XLogP2.16
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 ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-(2-phenylcyclopropyl)cyclopropane-1-carboxamide
CID 114995959
(3S)-3-N,4-N-bis[(1S,2R)-2-phenylcyclopropyl]-1-[4-[4-[(3S,4S)-3-[[(1S,2R)-2-phenylcyclopropyl]carbamoyl]-4-[[(2R)-2-phenylcyclopropyl]carbamoyl]pyrrolidine-1-carbonyl]phenyl]benzoyl]pyrrolidine-3,4-dicarboxamide
CID 154971108
3-N-[(1R,2S)-2-phenylcyclopropyl]pyrrolidine-3,4-dicarboxamide;hydrochloride
CID 154586680
(2R)-N-(2-phenylcyclopropyl)piperidine-2-carboxamide
CID 113266214
N-[(1R,2R)-2-phenylcyclopropyl]acetamide
CID 6954168
cis-(1R,3S)-3-[(2-phenylcyclopropyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106319586
cis-(1R,2S)-2-[[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 124779019
trans-(1S,2S)-2-[[(1S,2R)-2-[[(1S,2R)-2-carboxycyclohexanecarbonyl]amino]cyclohexyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 124780718
N-[(1S,2R)-2-phenylcyclopropyl]benzamide
CID 7350127
cis-(1R,2S)-2-phenylcyclopropane-1-carboxylic acid
CID 778516
cis-(1R,3S)-N-cyclopropyl-3-[[(1S,2S)-2-phenylcyclopropanecarbonyl]amino]cyclohexane-1-carboxamide
CID 124860014
(3S)-N-[(1S,2R)-2-phenylcyclopropyl]-1-[4-[(3S)-3-[[(1S,2R)-2-phenylcyclopropyl]carbamoyl]pyrrolidine-1-carbonyl]benzoyl]pyrrolidine-3-carboxamide;(3S)-N-[(1S,2R)-2-phenylcyclopropyl]-1-[4-(pyrrolidine-1-carbonyl)benzoyl]pyrrolidine-3-carboxamide;[4-(pyrrolidine-1-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 158693057

Frequently Asked Questions

What is the IUPAC name of 2-[(2-phenylcyclopropyl)carbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(2-phenylcyclopropyl)carbamoyl]cyclopentane-1-carboxylic acid (CID 103978629) is 2-[(2-phenylcyclopropyl)carbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(2-phenylcyclopropyl)carbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(2-phenylcyclopropyl)carbamoyl]cyclopentane-1-carboxylic acid is O=C(O)C1CCCC1C(=O)NC1CC1c1ccccc1.
What is the InChIKey of 2-[(2-phenylcyclopropyl)carbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is NLNQNXKZCJNZJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c18-15(11-7-4-8-12(11)16(19)20)17-14-9-13(14)10-5-2-1-3-6-10/h1-3,5-6,11-14H,4,7-9H2,(H,17,18)(H,19,20).
What are the key properties of 2-[(2-phenylcyclopropyl)carbamoyl]cyclopentane-1-carboxylic acid?
2-[(2-phenylcyclopropyl)carbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 273.33 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-phenylcyclopropyl)carbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103978629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).