2-[cyclopropylmethyl-[3-(4-fluorophenoxy)propanoyl]amino]acetic acid

C15H18FNO4 — CID 43655315

IUPAC2-[cyclopropylmethyl-[3-(4-fluorophenoxy)propanoyl]amino]acetic acid
SMILESO=C(O)CN(CC1CC1)C(=O)CCOc1ccc(F)cc1
InChIInChI=1S/C15H18FNO4/c16-12-3-5-13(6-4-12)21-8-7-14(18)17(10-15(19)20)9-11-1-2-11/h3-6,11H,1-2,7-10H2,(H,19,20)
InChIKeyJAAWEPAVQZWAIX-UHFFFAOYSA-N
MW295.31 g/mol
LogP1.92
Rot. Bonds8

About 2-[cyclopropylmethyl-[3-(4-fluorophenoxy)propanoyl]amino]acetic acid

2-[cyclopropylmethyl-[3-(4-fluorophenoxy)propanoyl]amino]acetic acid (PubChem CID 43655315) has the molecular formula C15H18FNO4 and a molecular weight of 295.31 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-[3-(4-fluorophenoxy)propanoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl-[3-(4-fluorophenoxy)propanoyl]amino]acetic acid
PubChem CID43655315
Molecular FormulaC15H18FNO4
Molecular Weight295.31 g/mol
Exact Mass295.12
IUPAC Name2-[cyclopropylmethyl-[3-(4-fluorophenoxy)propanoyl]amino]acetic acid
SMILESO=C(O)CN(CC1CC1)C(=O)CCOc1ccc(F)cc1
InChIInChI=1S/C15H18FNO4/c16-12-3-5-13(6-4-12)21-8-7-14(18)17(10-15(19)20)9-11-1-2-11/h3-6,11H,1-2,7-10H2,(H,19,20)
InChIKeyJAAWEPAVQZWAIX-UHFFFAOYSA-N
XLogP1.92
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[cyclopropylmethyl-[3-(4-fluorophenoxy)propanoyl]amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(4-fluorophenoxy)butanoyl-methylamino]acetic acid
CID 43356123
2-[cyclopropyl-[4-(4-fluorophenoxy)butanoyl]amino]acetic acid
CID 60825538
2-[cyclopropylmethyl-[2-(2-fluorophenoxy)acetyl]amino]acetic acid
CID 43655608
2-[cyclopropyl-[2-(4-fluorophenoxy)acetyl]amino]acetic acid
CID 54945921
2-[cyclopropylmethyl-(2,4-difluorobenzoyl)amino]acetic acid
CID 43655083
2-[cyclopropylmethyl(4-phenylsulfanylbutanoyl)amino]acetic acid
CID 43655413
3-[ethyl-[3-(4-fluorophenoxy)propanoyl]amino]-2-methylpropanoic acid
CID 62826123
ethyl 2-[cyclopropylmethyl-[3-(4-fluorophenyl)propanoyl]amino]acetate
CID 75405903
2-[3-(4-methoxyphenoxy)propanoyl-propylamino]acetic acid
CID 61013285
2-[methyl-[3-(4-methylphenoxy)propanoyl]amino]acetic acid
CID 43239733
3-[ethyl-[4-(4-fluorophenoxy)butanoyl]amino]propanoic acid
CID 61006801
2-[(2-amino-5-fluorobenzoyl)-(cyclopropylmethyl)amino]acetic acid
CID 61159892

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-[3-(4-fluorophenoxy)propanoyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl-[3-(4-fluorophenoxy)propanoyl]amino]acetic acid (CID 43655315) is 2-[cyclopropylmethyl-[3-(4-fluorophenoxy)propanoyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl-[3-(4-fluorophenoxy)propanoyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl-[3-(4-fluorophenoxy)propanoyl]amino]acetic acid is O=C(O)CN(CC1CC1)C(=O)CCOc1ccc(F)cc1.
What is the InChIKey of 2-[cyclopropylmethyl-[3-(4-fluorophenoxy)propanoyl]amino]acetic acid?
The InChIKey is JAAWEPAVQZWAIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO4/c16-12-3-5-13(6-4-12)21-8-7-14(18)17(10-15(19)20)9-11-1-2-11/h3-6,11H,1-2,7-10H2,(H,19,20).
What are the key properties of 2-[cyclopropylmethyl-[3-(4-fluorophenoxy)propanoyl]amino]acetic acid?
2-[cyclopropylmethyl-[3-(4-fluorophenoxy)propanoyl]amino]acetic acid has a molecular weight of 295.31 g/mol, XLogP of 1.92, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl-[3-(4-fluorophenoxy)propanoyl]amino]acetic acid is sourced from PubChem (CID 43655315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).