2-[4-[(1-ethylcyclopropanecarbonyl)amino]-2-fluorophenyl]acetic acid

C14H16FNO3 — CID 122109613

IUPAC2-[4-[(1-ethylcyclopropanecarbonyl)amino]-2-fluorophenyl]acetic acid
SMILESCCC1(C(=O)Nc2ccc(CC(=O)O)c(F)c2)CC1
InChIInChI=1S/C14H16FNO3/c1-2-14(5-6-14)13(19)16-10-4-3-9(7-12(17)18)11(15)8-10/h3-4,8H,2,5-7H2,1H3,(H,16,19)(H,17,18)
InChIKeyYKOMKVSAIMUDAH-UHFFFAOYSA-N
MW265.28 g/mol
LogP2.58
Rot. Bonds5

About 2-[4-[(1-ethylcyclopropanecarbonyl)amino]-2-fluorophenyl]acetic acid

2-[4-[(1-ethylcyclopropanecarbonyl)amino]-2-fluorophenyl]acetic acid (PubChem CID 122109613) has the molecular formula C14H16FNO3 and a molecular weight of 265.28 g/mol. Its IUPAC name is 2-[4-[(1-ethylcyclopropanecarbonyl)amino]-2-fluorophenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[(1-ethylcyclopropanecarbonyl)amino]-2-fluorophenyl]acetic acid
PubChem CID122109613
Molecular FormulaC14H16FNO3
Molecular Weight265.28 g/mol
Exact Mass265.11
IUPAC Name2-[4-[(1-ethylcyclopropanecarbonyl)amino]-2-fluorophenyl]acetic acid
SMILESCCC1(C(=O)Nc2ccc(CC(=O)O)c(F)c2)CC1
InChIInChI=1S/C14H16FNO3/c1-2-14(5-6-14)13(19)16-10-4-3-9(7-12(17)18)11(15)8-10/h3-4,8H,2,5-7H2,1H3,(H,16,19)(H,17,18)
InChIKeyYKOMKVSAIMUDAH-UHFFFAOYSA-N
XLogP2.58
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[[1-(2-ethoxyethyl)cyclopentanecarbonyl]amino]-2-fluorophenyl]acetic acid
CID 122109763
4-[(1-ethylcyclopentanecarbonyl)amino]-2-fluorobenzoic acid
CID 103925771
2-[3-[(1-ethylcyclopropanecarbonyl)amino]phenyl]acetic acid
CID 119351811
N-(4-amino-3-fluorophenyl)-1-ethylcyclobutane-1-carboxamide
CID 164882968
2-[4-[(1-cyanocyclopentanecarbonyl)amino]-2-fluorophenyl]acetic acid
CID 122109738
2-[2-fluoro-4-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]amino]phenyl]acetic acid
CID 122109940
2-[2-fluoro-4-[[1-(2-fluorophenyl)cyclopentanecarbonyl]amino]phenyl]acetic acid
CID 122110125
2-[4-(butanoylamino)-2-fluorophenyl]acetic acid
CID 122110137
2-[2-fluoro-4-[(2-methoxy-2-methylpropanoyl)amino]phenyl]acetic acid
CID 122109787
2-[3-[(4-ethylpiperidine-4-carbonyl)amino]phenyl]acetic acid
CID 65350521
3-ethyl-N-(3-fluoro-4-hydroxyphenyl)pyrrolidine-3-carboxamide
CID 64782595
2-[2-fluoro-4-[(2-methylsulfanylacetyl)amino]phenyl]acetic acid
CID 122110095

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1-ethylcyclopropanecarbonyl)amino]-2-fluorophenyl]acetic acid?
The IUPAC name of 2-[4-[(1-ethylcyclopropanecarbonyl)amino]-2-fluorophenyl]acetic acid (CID 122109613) is 2-[4-[(1-ethylcyclopropanecarbonyl)amino]-2-fluorophenyl]acetic acid.
What is the SMILES notation for 2-[4-[(1-ethylcyclopropanecarbonyl)amino]-2-fluorophenyl]acetic acid?
The canonical SMILES for 2-[4-[(1-ethylcyclopropanecarbonyl)amino]-2-fluorophenyl]acetic acid is CCC1(C(=O)Nc2ccc(CC(=O)O)c(F)c2)CC1.
What is the InChIKey of 2-[4-[(1-ethylcyclopropanecarbonyl)amino]-2-fluorophenyl]acetic acid?
The InChIKey is YKOMKVSAIMUDAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO3/c1-2-14(5-6-14)13(19)16-10-4-3-9(7-12(17)18)11(15)8-10/h3-4,8H,2,5-7H2,1H3,(H,16,19)(H,17,18).
What are the key properties of 2-[4-[(1-ethylcyclopropanecarbonyl)amino]-2-fluorophenyl]acetic acid?
2-[4-[(1-ethylcyclopropanecarbonyl)amino]-2-fluorophenyl]acetic acid has a molecular weight of 265.28 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1-ethylcyclopropanecarbonyl)amino]-2-fluorophenyl]acetic acid is sourced from PubChem (CID 122109613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).