3-[ethyl-[2-(3-fluorophenyl)acetyl]amino]butanoic acid

C14H18FNO3 — CID 62821222

IUPAC3-[ethyl-[2-(3-fluorophenyl)acetyl]amino]butanoic acid
SMILESCCN(C(=O)Cc1cccc(F)c1)C(C)CC(=O)O
InChIInChI=1S/C14H18FNO3/c1-3-16(10(2)7-14(18)19)13(17)9-11-5-4-6-12(15)8-11/h4-6,8,10H,3,7,9H2,1-2H3,(H,18,19)
InChIKeyQLMXUYDXKVGNPR-UHFFFAOYSA-N
MW267.30 g/mol
LogP2.08
Rot. Bonds6

About 3-[ethyl-[2-(3-fluorophenyl)acetyl]amino]butanoic acid

3-[ethyl-[2-(3-fluorophenyl)acetyl]amino]butanoic acid (PubChem CID 62821222) has the molecular formula C14H18FNO3 and a molecular weight of 267.30 g/mol. Its IUPAC name is 3-[ethyl-[2-(3-fluorophenyl)acetyl]amino]butanoic acid.

Molecular Properties

Compound Name3-[ethyl-[2-(3-fluorophenyl)acetyl]amino]butanoic acid
PubChem CID62821222
Molecular FormulaC14H18FNO3
Molecular Weight267.30 g/mol
Exact Mass267.13
IUPAC Name3-[ethyl-[2-(3-fluorophenyl)acetyl]amino]butanoic acid
SMILESCCN(C(=O)Cc1cccc(F)c1)C(C)CC(=O)O
InChIInChI=1S/C14H18FNO3/c1-3-16(10(2)7-14(18)19)13(17)9-11-5-4-6-12(15)8-11/h4-6,8,10H,3,7,9H2,1-2H3,(H,18,19)
InChIKeyQLMXUYDXKVGNPR-UHFFFAOYSA-N
XLogP2.08
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[ethyl-(3-fluorobenzoyl)amino]butanoic acid
CID 62821196
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3-[ethyl-(2-thiophen-3-ylacetyl)amino]butanoic acid
CID 62822072
1-(3-fluorophenyl)-4-methylhexan-2-one
CID 62622297
3-[ethyl-[2-(4-nitrophenyl)acetyl]amino]butanoic acid
CID 62821560
(3S)-3-[[2-(3-fluorophenyl)acetyl]amino]hexanoic acid
CID 97328206
N-(2-chloropropyl)-2-(3-fluorophenyl)-N-methylacetamide
CID 63393863
N-(3,3-dimethylbutan-2-yl)-2-(3-fluorophenyl)-N-methylacetamide
CID 47023720
3-[ethyl-[3-(3-methoxyphenyl)propanoyl]amino]butanoic acid
CID 62827595
2-(3-fluorophenyl)-N-[(2S)-pentan-2-yl]acetamide
CID 92647594
2-(3-aminophenyl)-N-ethyl-N-propan-2-ylacetamide
CID 62498182

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[2-(3-fluorophenyl)acetyl]amino]butanoic acid?
The IUPAC name of 3-[ethyl-[2-(3-fluorophenyl)acetyl]amino]butanoic acid (CID 62821222) is 3-[ethyl-[2-(3-fluorophenyl)acetyl]amino]butanoic acid.
What is the SMILES notation for 3-[ethyl-[2-(3-fluorophenyl)acetyl]amino]butanoic acid?
The canonical SMILES for 3-[ethyl-[2-(3-fluorophenyl)acetyl]amino]butanoic acid is CCN(C(=O)Cc1cccc(F)c1)C(C)CC(=O)O.
What is the InChIKey of 3-[ethyl-[2-(3-fluorophenyl)acetyl]amino]butanoic acid?
The InChIKey is QLMXUYDXKVGNPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO3/c1-3-16(10(2)7-14(18)19)13(17)9-11-5-4-6-12(15)8-11/h4-6,8,10H,3,7,9H2,1-2H3,(H,18,19).
What are the key properties of 3-[ethyl-[2-(3-fluorophenyl)acetyl]amino]butanoic acid?
3-[ethyl-[2-(3-fluorophenyl)acetyl]amino]butanoic acid has a molecular weight of 267.30 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[2-(3-fluorophenyl)acetyl]amino]butanoic acid is sourced from PubChem (CID 62821222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).