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

C16H21NO4 — CID 119194676

IUPAC2-[cyclopropyl-[4-(4-methoxyphenyl)butanoyl]amino]acetic acid
SMILESCOc1ccc(CCCC(=O)N(CC(=O)O)C2CC2)cc1
InChIInChI=1S/C16H21NO4/c1-21-14-9-5-12(6-10-14)3-2-4-15(18)17(11-16(19)20)13-7-8-13/h5-6,9-10,13H,2-4,7-8,11H2,1H3,(H,19,20)
InChIKeyVJAXTPGGSVCTKS-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.09
Rot. Bonds8

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

2-[cyclopropyl-[4-(4-methoxyphenyl)butanoyl]amino]acetic acid (PubChem CID 119194676) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-[cyclopropyl-[4-(4-methoxyphenyl)butanoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[4-(4-methoxyphenyl)butanoyl]amino]acetic acid
PubChem CID119194676
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name2-[cyclopropyl-[4-(4-methoxyphenyl)butanoyl]amino]acetic acid
SMILESCOc1ccc(CCCC(=O)N(CC(=O)O)C2CC2)cc1
InChIInChI=1S/C16H21NO4/c1-21-14-9-5-12(6-10-14)3-2-4-15(18)17(11-16(19)20)13-7-8-13/h5-6,9-10,13H,2-4,7-8,11H2,1H3,(H,19,20)
InChIKeyVJAXTPGGSVCTKS-UHFFFAOYSA-N
XLogP2.09
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopropyl-[2-(4-methoxyphenyl)ethylcarbamoyl]amino]acetic acid
CID 61182104
2-[cyclopropyl-[3-(3-methoxyphenyl)propanoyl]amino]acetic acid
CID 60826259
4-amino-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]butanamide
CID 54869898
2-[cyclopropyl(3-phenylpropanoyl)amino]acetic acid
CID 54945801
2-[cyclopropyl-[2-(2,4-dimethoxyphenyl)acetyl]amino]acetic acid
CID 60827055
2-[3-(4-chlorophenyl)propanoyl-cyclopropylamino]acetic acid
CID 119194779
2-[cyclopropyl-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]amino]acetic acid
CID 119195233
2-[cyclopropyl-[4-(4-fluorophenoxy)butanoyl]amino]acetic acid
CID 60825538
2-[4-(4-methoxyphenyl)butanoyl-methylamino]propanoic acid
CID 119208828
3-amino-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]propanamide
CID 39350832
1-cyclopentyl-4-(4-methoxyphenyl)butan-1-one
CID 113390085
5-(carbamoylamino)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]pentanamide
CID 31449017

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[4-(4-methoxyphenyl)butanoyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-[4-(4-methoxyphenyl)butanoyl]amino]acetic acid (CID 119194676) is 2-[cyclopropyl-[4-(4-methoxyphenyl)butanoyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-[4-(4-methoxyphenyl)butanoyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-[4-(4-methoxyphenyl)butanoyl]amino]acetic acid is COc1ccc(CCCC(=O)N(CC(=O)O)C2CC2)cc1.
What is the InChIKey of 2-[cyclopropyl-[4-(4-methoxyphenyl)butanoyl]amino]acetic acid?
The InChIKey is VJAXTPGGSVCTKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-21-14-9-5-12(6-10-14)3-2-4-15(18)17(11-16(19)20)13-7-8-13/h5-6,9-10,13H,2-4,7-8,11H2,1H3,(H,19,20).
What are the key properties of 2-[cyclopropyl-[4-(4-methoxyphenyl)butanoyl]amino]acetic acid?
2-[cyclopropyl-[4-(4-methoxyphenyl)butanoyl]amino]acetic acid has a molecular weight of 291.35 g/mol, XLogP of 2.09, 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-methoxyphenyl)butanoyl]amino]acetic acid is sourced from PubChem (CID 119194676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).