2-[cyclopropyl-[4-(4-fluorophenoxy)butanoyl]amino]acetic acid

C15H18FNO4 — CID 60825538

IUPAC2-[cyclopropyl-[4-(4-fluorophenoxy)butanoyl]amino]acetic acid
SMILESO=C(O)CN(C(=O)CCCOc1ccc(F)cc1)C1CC1
InChIInChI=1S/C15H18FNO4/c16-11-3-7-13(8-4-11)21-9-1-2-14(18)17(10-15(19)20)12-5-6-12/h3-4,7-8,12H,1-2,5-6,9-10H2,(H,19,20)
InChIKeyWTFHFCYEQKEQTC-UHFFFAOYSA-N
MW295.31 g/mol
LogP2.06
Rot. Bonds8

About 2-[cyclopropyl-[4-(4-fluorophenoxy)butanoyl]amino]acetic acid

2-[cyclopropyl-[4-(4-fluorophenoxy)butanoyl]amino]acetic acid (PubChem CID 60825538) has the molecular formula C15H18FNO4 and a molecular weight of 295.31 g/mol. Its IUPAC name is 2-[cyclopropyl-[4-(4-fluorophenoxy)butanoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[4-(4-fluorophenoxy)butanoyl]amino]acetic acid
PubChem CID60825538
Molecular FormulaC15H18FNO4
Molecular Weight295.31 g/mol
Exact Mass295.12
IUPAC Name2-[cyclopropyl-[4-(4-fluorophenoxy)butanoyl]amino]acetic acid
SMILESO=C(O)CN(C(=O)CCCOc1ccc(F)cc1)C1CC1
InChIInChI=1S/C15H18FNO4/c16-11-3-7-13(8-4-11)21-9-1-2-14(18)17(10-15(19)20)12-5-6-12/h3-4,7-8,12H,1-2,5-6,9-10H2,(H,19,20)
InChIKeyWTFHFCYEQKEQTC-UHFFFAOYSA-N
XLogP2.06
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 ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[cyclopropyl-[2-(4-fluorophenoxy)acetyl]amino]acetic acid
CID 54945921
2-[4-(4-fluorophenoxy)butanoyl-methylamino]acetic acid
CID 43356123
2-[cyclopropylmethyl-[3-(4-fluorophenoxy)propanoyl]amino]acetic acid
CID 43655315
2-[cyclopropyl-[5-(3-methylphenoxy)pentanoyl]amino]acetic acid
CID 119194710
2-[cyclopropyl-[4-(4-methoxyphenyl)butanoyl]amino]acetic acid
CID 119194676
2-[cyclopropyl-[2-(4-ethoxyphenoxy)acetyl]amino]acetic acid
CID 60826404
2-[cyclopropyl-[2-(4-fluorophenyl)sulfanylacetyl]amino]acetic acid
CID 54945815
4-(4-bromophenoxy)-N-cyclopropyl-N-(2-hydroxyethyl)butanamide
CID 43576564
3-[ethyl-[4-(4-fluorophenoxy)butanoyl]amino]propanoic acid
CID 61006801
5-(4-fluorophenoxy)-2-oxopentanoic acid
CID 57302572
9-(4-fluorophenoxy)nonanoic acid
CID 66875133
2-[3-(2-chlorophenoxy)propanoyl-cyclopropylamino]acetic acid
CID 60826398

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[4-(4-fluorophenoxy)butanoyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-[4-(4-fluorophenoxy)butanoyl]amino]acetic acid (CID 60825538) is 2-[cyclopropyl-[4-(4-fluorophenoxy)butanoyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-[4-(4-fluorophenoxy)butanoyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-[4-(4-fluorophenoxy)butanoyl]amino]acetic acid is O=C(O)CN(C(=O)CCCOc1ccc(F)cc1)C1CC1.
What is the InChIKey of 2-[cyclopropyl-[4-(4-fluorophenoxy)butanoyl]amino]acetic acid?
The InChIKey is WTFHFCYEQKEQTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO4/c16-11-3-7-13(8-4-11)21-9-1-2-14(18)17(10-15(19)20)12-5-6-12/h3-4,7-8,12H,1-2,5-6,9-10H2,(H,19,20).
What are the key properties of 2-[cyclopropyl-[4-(4-fluorophenoxy)butanoyl]amino]acetic acid?
2-[cyclopropyl-[4-(4-fluorophenoxy)butanoyl]amino]acetic acid has a molecular weight of 295.31 g/mol, XLogP of 2.06, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[4-(4-fluorophenoxy)butanoyl]amino]acetic acid is sourced from PubChem (CID 60825538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).