2-[1-[(3-fluorophenyl)methylcarbamoylamino]cyclopentyl]acetic acid

C15H19FN2O3 — CID 64701035

IUPAC2-[1-[(3-fluorophenyl)methylcarbamoylamino]cyclopentyl]acetic acid
SMILESO=C(O)CC1(NC(=O)NCc2cccc(F)c2)CCCC1
InChIInChI=1S/C15H19FN2O3/c16-12-5-3-4-11(8-12)10-17-14(21)18-15(9-13(19)20)6-1-2-7-15/h3-5,8H,1-2,6-7,9-10H2,(H,19,20)(H2,17,18,21)
InChIKeySTKDQBZSNWCQGR-UHFFFAOYSA-N
MW294.33 g/mol
LogP2.41
Rot. Bonds5

About 2-[1-[(3-fluorophenyl)methylcarbamoylamino]cyclopentyl]acetic acid

2-[1-[(3-fluorophenyl)methylcarbamoylamino]cyclopentyl]acetic acid (PubChem CID 64701035) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is 2-[1-[(3-fluorophenyl)methylcarbamoylamino]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(3-fluorophenyl)methylcarbamoylamino]cyclopentyl]acetic acid
PubChem CID64701035
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC Name2-[1-[(3-fluorophenyl)methylcarbamoylamino]cyclopentyl]acetic acid
SMILESO=C(O)CC1(NC(=O)NCc2cccc(F)c2)CCCC1
InChIInChI=1S/C15H19FN2O3/c16-12-5-3-4-11(8-12)10-17-14(21)18-15(9-13(19)20)6-1-2-7-15/h3-5,8H,1-2,6-7,9-10H2,(H,19,20)(H2,17,18,21)
InChIKeySTKDQBZSNWCQGR-UHFFFAOYSA-N
XLogP2.41
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-fluorophenyl)methyl]-1-hydroxycyclopentane-1-carboxamide
CID 110907192
2-[(3-fluorophenyl)methylcarbamoylamino]acetic acid
CID 16780933
2-[1-(thiophen-3-ylmethylcarbamoylamino)cyclopentyl]acetic acid
CID 64700143
2-(1-aminocyclohexyl)-N-[(3-fluorophenyl)methyl]acetamide
CID 64683966
1-[(3-fluorophenyl)methyl]-3-sulfanylurea
CID 141033956
1-[(3-fluorophenyl)methyl]-3-(2-phenylethyl)urea
CID 47172429
1-cyclopropyl-3-[(3-fluorophenyl)methyl]urea
CID 47171959
1-[1-(hydroxymethyl)cyclopentyl]-3-[(3-propan-2-yloxyphenyl)methyl]urea
CID 71917886
2-[1-(2-pyridin-3-ylethylcarbamoylamino)cyclopentyl]acetic acid
CID 64700270
4-[(3-fluorophenyl)methylamino]-4-oxobutanoic acid
CID 43529773
2-[1-[(2-phenylacetyl)amino]cyclohexyl]acetic acid
CID 64671959
1-[(3-fluorophenyl)methyl]-3-pyrimidin-2-ylurea
CID 108898501

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-fluorophenyl)methylcarbamoylamino]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[(3-fluorophenyl)methylcarbamoylamino]cyclopentyl]acetic acid (CID 64701035) is 2-[1-[(3-fluorophenyl)methylcarbamoylamino]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[(3-fluorophenyl)methylcarbamoylamino]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[(3-fluorophenyl)methylcarbamoylamino]cyclopentyl]acetic acid is O=C(O)CC1(NC(=O)NCc2cccc(F)c2)CCCC1.
What is the InChIKey of 2-[1-[(3-fluorophenyl)methylcarbamoylamino]cyclopentyl]acetic acid?
The InChIKey is STKDQBZSNWCQGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O3/c16-12-5-3-4-11(8-12)10-17-14(21)18-15(9-13(19)20)6-1-2-7-15/h3-5,8H,1-2,6-7,9-10H2,(H,19,20)(H2,17,18,21).
What are the key properties of 2-[1-[(3-fluorophenyl)methylcarbamoylamino]cyclopentyl]acetic acid?
2-[1-[(3-fluorophenyl)methylcarbamoylamino]cyclopentyl]acetic acid has a molecular weight of 294.33 g/mol, XLogP of 2.41, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-fluorophenyl)methylcarbamoylamino]cyclopentyl]acetic acid is sourced from PubChem (CID 64701035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).