2-[(2-fluorophenyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid

C14H17FN2O3 — CID 64818051

IUPAC2-[(2-fluorophenyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
SMILESO=C(NCc1ccccc1F)NC1CCCC1C(=O)O
InChIInChI=1S/C14H17FN2O3/c15-11-6-2-1-4-9(11)8-16-14(20)17-12-7-3-5-10(12)13(18)19/h1-2,4,6,10,12H,3,5,7-8H2,(H,18,19)(H2,16,17,20)
InChIKeyGIKYICJVLYKKQU-UHFFFAOYSA-N
MW280.30 g/mol
LogP1.88
Rot. Bonds4

About 2-[(2-fluorophenyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid

2-[(2-fluorophenyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid (PubChem CID 64818051) has the molecular formula C14H17FN2O3 and a molecular weight of 280.30 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
PubChem CID64818051
Molecular FormulaC14H17FN2O3
Molecular Weight280.30 g/mol
Exact Mass280.12
IUPAC Name2-[(2-fluorophenyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
SMILESO=C(NCc1ccccc1F)NC1CCCC1C(=O)O
InChIInChI=1S/C14H17FN2O3/c15-11-6-2-1-4-9(11)8-16-14(20)17-12-7-3-5-10(12)13(18)19/h1-2,4,6,10,12H,3,5,7-8H2,(H,18,19)(H2,16,17,20)
InChIKeyGIKYICJVLYKKQU-UHFFFAOYSA-N
XLogP1.88
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-bromophenyl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 64817497
1-[(2-fluorophenyl)methyl]-3-piperidin-4-ylurea
CID 117235479
2-[(4-methylphenyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 64817088
2-[[2-[2-(aminomethyl)phenyl]acetyl]amino]cyclopentane-1-carboxylic acid
CID 81322034
2-[[2-(2-chlorophenyl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 64812051
1-[(2-fluorophenyl)methyl]-3-pyrrolidin-3-ylurea
CID 117235493
2-(thiophen-3-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 64816561
cis-methyl (1R,2S)-2-[[2-(2-fluorophenyl)acetyl]amino]cyclohexane-1-carboxylate
CID 97028755
1-[(2-fluorophenyl)methyl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 131961678
1-(3,4-dihydro-2H-chromen-4-yl)-3-[(2-fluorophenyl)methyl]urea
CID 110866066
2-[(5-bromothiophen-2-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 64817149
2-(1,2-oxazol-5-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 106421097

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(2-fluorophenyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid (CID 64818051) is 2-[(2-fluorophenyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(2-fluorophenyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(2-fluorophenyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid is O=C(NCc1ccccc1F)NC1CCCC1C(=O)O.
What is the InChIKey of 2-[(2-fluorophenyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid?
The InChIKey is GIKYICJVLYKKQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O3/c15-11-6-2-1-4-9(11)8-16-14(20)17-12-7-3-5-10(12)13(18)19/h1-2,4,6,10,12H,3,5,7-8H2,(H,18,19)(H2,16,17,20).
What are the key properties of 2-[(2-fluorophenyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid?
2-[(2-fluorophenyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid has a molecular weight of 280.30 g/mol, XLogP of 1.88, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 64818051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).