2-[cyclopropyl-[3-(3-methoxyphenyl)propanoyl]amino]acetic acid

C15H19NO4 — CID 60826259

IUPAC2-[cyclopropyl-[3-(3-methoxyphenyl)propanoyl]amino]acetic acid
SMILESCOc1cccc(CCC(=O)N(CC(=O)O)C2CC2)c1
InChIInChI=1S/C15H19NO4/c1-20-13-4-2-3-11(9-13)5-8-14(17)16(10-15(18)19)12-6-7-12/h2-4,9,12H,5-8,10H2,1H3,(H,18,19)
InChIKeyGJJILRKNGAQOON-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.70
Rot. Bonds7

About 2-[cyclopropyl-[3-(3-methoxyphenyl)propanoyl]amino]acetic acid

2-[cyclopropyl-[3-(3-methoxyphenyl)propanoyl]amino]acetic acid (PubChem CID 60826259) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-[cyclopropyl-[3-(3-methoxyphenyl)propanoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[3-(3-methoxyphenyl)propanoyl]amino]acetic acid
PubChem CID60826259
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name2-[cyclopropyl-[3-(3-methoxyphenyl)propanoyl]amino]acetic acid
SMILESCOc1cccc(CCC(=O)N(CC(=O)O)C2CC2)c1
InChIInChI=1S/C15H19NO4/c1-20-13-4-2-3-11(9-13)5-8-14(17)16(10-15(18)19)12-6-7-12/h2-4,9,12H,5-8,10H2,1H3,(H,18,19)
InChIKeyGJJILRKNGAQOON-UHFFFAOYSA-N
XLogP1.70
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopropyl-[2-(3-methoxyphenyl)ethylcarbamoyl]amino]acetic acid
CID 103996280
2-[cyclopropyl(3-phenylpropanoyl)amino]acetic acid
CID 54945801
2-[cyclopropyl-[3-[3-(methylcarbamoyl)phenyl]propanoyl]amino]acetic acid
CID 120517535
N-cyclopropyl-N-(4-ethylcyclohexyl)-3-(3-methoxyphenyl)propanamide
CID 55593600
2-[cyclopropyl-[4-(4-methoxyphenyl)butanoyl]amino]acetic acid
CID 119194676
3-[3-(3-methoxyphenyl)propanoyl-methylamino]propanoic acid
CID 60989775
2-[cyclopropyl-[2-(3-propan-2-yloxyphenyl)acetyl]amino]acetic acid
CID 119194970
2-[(4-chlorophenyl)methyl-[3-(3-methoxyphenyl)propanoyl]amino]acetic acid
CID 119193500
2-[acetyl(cyclopropyl)amino]-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 113158342
3-(3-methoxyphenyl)-N,N-dipropylpropanamide
CID 86913065
2-[cyclopropyl-[2-(2,4-dimethoxyphenyl)acetyl]amino]acetic acid
CID 60827055
2-[3-(4-chlorophenyl)propanoyl-cyclopropylamino]acetic acid
CID 119194779

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[3-(3-methoxyphenyl)propanoyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-[3-(3-methoxyphenyl)propanoyl]amino]acetic acid (CID 60826259) is 2-[cyclopropyl-[3-(3-methoxyphenyl)propanoyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-[3-(3-methoxyphenyl)propanoyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-[3-(3-methoxyphenyl)propanoyl]amino]acetic acid is COc1cccc(CCC(=O)N(CC(=O)O)C2CC2)c1.
What is the InChIKey of 2-[cyclopropyl-[3-(3-methoxyphenyl)propanoyl]amino]acetic acid?
The InChIKey is GJJILRKNGAQOON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-20-13-4-2-3-11(9-13)5-8-14(17)16(10-15(18)19)12-6-7-12/h2-4,9,12H,5-8,10H2,1H3,(H,18,19).
What are the key properties of 2-[cyclopropyl-[3-(3-methoxyphenyl)propanoyl]amino]acetic acid?
2-[cyclopropyl-[3-(3-methoxyphenyl)propanoyl]amino]acetic acid has a molecular weight of 277.32 g/mol, XLogP of 1.70, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[3-(3-methoxyphenyl)propanoyl]amino]acetic acid is sourced from PubChem (CID 60826259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).