2-[(4-fluoro-2-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid

C14H17FN2O3 — CID 64816695

IUPAC2-[(4-fluoro-2-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
SMILESCc1cc(F)ccc1NC(=O)NC1CCCC1C(=O)O
InChIInChI=1S/C14H17FN2O3/c1-8-7-9(15)5-6-11(8)16-14(20)17-12-4-2-3-10(12)13(18)19/h5-7,10,12H,2-4H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyAYPIGILQTHIPJB-UHFFFAOYSA-N
MW280.30 g/mol
LogP2.51
Rot. Bonds3

About 2-[(4-fluoro-2-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid

2-[(4-fluoro-2-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid (PubChem CID 64816695) has the molecular formula C14H17FN2O3 and a molecular weight of 280.30 g/mol. Its IUPAC name is 2-[(4-fluoro-2-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(4-fluoro-2-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
PubChem CID64816695
Molecular FormulaC14H17FN2O3
Molecular Weight280.30 g/mol
Exact Mass280.12
IUPAC Name2-[(4-fluoro-2-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
SMILESCc1cc(F)ccc1NC(=O)NC1CCCC1C(=O)O
InChIInChI=1S/C14H17FN2O3/c1-8-7-9(15)5-6-11(8)16-14(20)17-12-4-2-3-10(12)13(18)19/h5-7,10,12H,2-4H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyAYPIGILQTHIPJB-UHFFFAOYSA-N
XLogP2.51
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-methoxy-2-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 64816365
1-(2-carbamothioylcyclopentyl)-3-(2,4-difluorophenyl)urea
CID 62956599
2-[(2-bromo-4-methylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 64815711
2-[(2-bromo-5-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 82766632
2-[(3-fluoro-5-methylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 79046093
N-(4-fluoro-2-methylphenyl)cyclobutanecarboxamide
CID 17069288
2-[(5-bromo-2,4-difluorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 102854411
2-amino-N-(4-fluoro-2-methylphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119679603
1-(2,4-dimethylphenyl)-3-(2-methylcyclohexyl)urea
CID 17265372
1-[(3S)-1,1-dioxothian-3-yl]-3-(4-fluoro-2-methylphenyl)urea
CID 95636178
trans-(1R,2R)-2-[(4-fluoro-2-methylphenyl)carbamoyl]cyclohexane-1-carboxylate
CID 7472991
2-[(5-fluoro-2-methylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 64818376

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluoro-2-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(4-fluoro-2-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid (CID 64816695) is 2-[(4-fluoro-2-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(4-fluoro-2-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(4-fluoro-2-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid is Cc1cc(F)ccc1NC(=O)NC1CCCC1C(=O)O.
What is the InChIKey of 2-[(4-fluoro-2-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid?
The InChIKey is AYPIGILQTHIPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O3/c1-8-7-9(15)5-6-11(8)16-14(20)17-12-4-2-3-10(12)13(18)19/h5-7,10,12H,2-4H2,1H3,(H,18,19)(H2,16,17,20).
What are the key properties of 2-[(4-fluoro-2-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid?
2-[(4-fluoro-2-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid has a molecular weight of 280.30 g/mol, XLogP of 2.51, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluoro-2-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 64816695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).