3-[(2-cyclopentylacetyl)amino]-3-(4-fluorophenyl)propanoic acid

C16H20FNO3 — CID 45431634

IUPAC3-[(2-cyclopentylacetyl)amino]-3-(4-fluorophenyl)propanoic acid
SMILESO=C(O)CC(NC(=O)CC1CCCC1)c1ccc(F)cc1
InChIInChI=1S/C16H20FNO3/c17-13-7-5-12(6-8-13)14(10-16(20)21)18-15(19)9-11-3-1-2-4-11/h5-8,11,14H,1-4,9-10H2,(H,18,19)(H,20,21)
InChIKeyIGDCGANCIFOFDI-UHFFFAOYSA-N
MW293.34 g/mol
LogP3.04
Rot. Bonds6

About 3-[(2-cyclopentylacetyl)amino]-3-(4-fluorophenyl)propanoic acid

3-[(2-cyclopentylacetyl)amino]-3-(4-fluorophenyl)propanoic acid (PubChem CID 45431634) has the molecular formula C16H20FNO3 and a molecular weight of 293.34 g/mol. Its IUPAC name is 3-[(2-cyclopentylacetyl)amino]-3-(4-fluorophenyl)propanoic acid.

Molecular Properties

Compound Name3-[(2-cyclopentylacetyl)amino]-3-(4-fluorophenyl)propanoic acid
PubChem CID45431634
Molecular FormulaC16H20FNO3
Molecular Weight293.34 g/mol
Exact Mass293.14
IUPAC Name3-[(2-cyclopentylacetyl)amino]-3-(4-fluorophenyl)propanoic acid
SMILESO=C(O)CC(NC(=O)CC1CCCC1)c1ccc(F)cc1
InChIInChI=1S/C16H20FNO3/c17-13-7-5-12(6-8-13)14(10-16(20)21)18-15(19)9-11-3-1-2-4-11/h5-8,11,14H,1-4,9-10H2,(H,18,19)(H,20,21)
InChIKeyIGDCGANCIFOFDI-UHFFFAOYSA-N
XLogP3.04
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-fluorophenyl)-3-[[2-(oxan-4-yl)acetyl]amino]propanoic acid
CID 119169606
(3R)-3-(4-fluorophenyl)-3-[[2-[(2R)-oxolan-2-yl]acetyl]amino]propanoic acid
CID 124704080
3-(cyclooctanecarbonylamino)-3-(4-fluorophenyl)propanoic acid
CID 120513053
N-(2-amino-1-phenylethyl)-2-cyclopentylacetamide
CID 63755039
2-(1-ethylpiperidin-4-yl)-N-[(1R)-1-(4-fluorophenyl)propyl]acetamide
CID 97205946
(3R)-3-(carbamoylamino)-3-(4-fluorophenyl)propanoic acid
CID 135070527
3-[[2-(1,1-dioxothiolan-3-yl)sulfanylacetyl]amino]-3-(4-fluorophenyl)propanoic acid
CID 119169710
3-[(4-fluorobenzoyl)amino]-3-(4-fluorophenyl)propanoic acid
CID 4558174
N-[(1R)-1-(4-fluorophenyl)-2-hydroxyethyl]-2-(1-propylpiperidin-4-yl)acetamide
CID 97272567
3-(4-fluorophenyl)-3-[3-(oxan-4-yloxy)propanoylamino]propanoic acid
CID 120513072
3-[[2-(cyclopropylmethylamino)acetyl]amino]-3-phenylpropanoic acid
CID 61157097
3-(4-fluorophenyl)-3-(3-methylhexanoylamino)propanoic acid
CID 119169664

Frequently Asked Questions

What is the IUPAC name of 3-[(2-cyclopentylacetyl)amino]-3-(4-fluorophenyl)propanoic acid?
The IUPAC name of 3-[(2-cyclopentylacetyl)amino]-3-(4-fluorophenyl)propanoic acid (CID 45431634) is 3-[(2-cyclopentylacetyl)amino]-3-(4-fluorophenyl)propanoic acid.
What is the SMILES notation for 3-[(2-cyclopentylacetyl)amino]-3-(4-fluorophenyl)propanoic acid?
The canonical SMILES for 3-[(2-cyclopentylacetyl)amino]-3-(4-fluorophenyl)propanoic acid is O=C(O)CC(NC(=O)CC1CCCC1)c1ccc(F)cc1.
What is the InChIKey of 3-[(2-cyclopentylacetyl)amino]-3-(4-fluorophenyl)propanoic acid?
The InChIKey is IGDCGANCIFOFDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO3/c17-13-7-5-12(6-8-13)14(10-16(20)21)18-15(19)9-11-3-1-2-4-11/h5-8,11,14H,1-4,9-10H2,(H,18,19)(H,20,21).
What are the key properties of 3-[(2-cyclopentylacetyl)amino]-3-(4-fluorophenyl)propanoic acid?
3-[(2-cyclopentylacetyl)amino]-3-(4-fluorophenyl)propanoic acid has a molecular weight of 293.34 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-cyclopentylacetyl)amino]-3-(4-fluorophenyl)propanoic acid is sourced from PubChem (CID 45431634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).