3-[cyclopropyl-[(4-methoxycarbonylphenyl)methyl]amino]propanoic acid

C15H19NO4 — CID 65054438

IUPAC3-[cyclopropyl-[(4-methoxycarbonylphenyl)methyl]amino]propanoic acid
SMILESCOC(=O)c1ccc(CN(CCC(=O)O)C2CC2)cc1
InChIInChI=1S/C15H19NO4/c1-20-15(19)12-4-2-11(3-5-12)10-16(13-6-7-13)9-8-14(17)18/h2-5,13H,6-10H2,1H3,(H,17,18)
InChIKeyGZBLRUSDSRSYQC-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.91
Rot. Bonds7

About 3-[cyclopropyl-[(4-methoxycarbonylphenyl)methyl]amino]propanoic acid

3-[cyclopropyl-[(4-methoxycarbonylphenyl)methyl]amino]propanoic acid (PubChem CID 65054438) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 3-[cyclopropyl-[(4-methoxycarbonylphenyl)methyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl-[(4-methoxycarbonylphenyl)methyl]amino]propanoic acid
PubChem CID65054438
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name3-[cyclopropyl-[(4-methoxycarbonylphenyl)methyl]amino]propanoic acid
SMILESCOC(=O)c1ccc(CN(CCC(=O)O)C2CC2)cc1
InChIInChI=1S/C15H19NO4/c1-20-15(19)12-4-2-11(3-5-12)10-16(13-6-7-13)9-8-14(17)18/h2-5,13H,6-10H2,1H3,(H,17,18)
InChIKeyGZBLRUSDSRSYQC-UHFFFAOYSA-N
XLogP1.91
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-carbamoylphenyl)methyl-cyclopropylamino]propanoic acid
CID 60840216
3-[ethyl-[(4-methoxycarbonylphenyl)methyl]amino]propanoic acid
CID 65062900
4-[(4-carbamoylphenyl)methyl-cyclopropylamino]butanoic acid
CID 119134489
3-[benzyl(cyclohexyl)amino]propanoic acid
CID 82327522
3-[cyclopropyl-[(3,5-dimethylphenyl)methyl]amino]propanoic acid
CID 60839372
3-[(5-acetyl-2-methoxyphenyl)methyl-cyclopropylamino]propanoic acid
CID 60839543
methyl 4-[[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetyl]amino]benzoate
CID 8770093
3-[[2-carboxyethyl(cyclopropyl)amino]methyl]benzoic acid
CID 82327896
3-(4-methoxycarbonylphenyl)propanoic acid
CID 22716688
3-[cyclopropyl-[(3-hydroxyphenyl)methyl]amino]propanoic acid
CID 65054828
3-[cyclopropyl(thiophen-3-ylmethyl)amino]propanoic acid
CID 60838165
methyl 4-[[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]benzoate
CID 126676707

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-[(4-methoxycarbonylphenyl)methyl]amino]propanoic acid?
The IUPAC name of 3-[cyclopropyl-[(4-methoxycarbonylphenyl)methyl]amino]propanoic acid (CID 65054438) is 3-[cyclopropyl-[(4-methoxycarbonylphenyl)methyl]amino]propanoic acid.
What is the SMILES notation for 3-[cyclopropyl-[(4-methoxycarbonylphenyl)methyl]amino]propanoic acid?
The canonical SMILES for 3-[cyclopropyl-[(4-methoxycarbonylphenyl)methyl]amino]propanoic acid is COC(=O)c1ccc(CN(CCC(=O)O)C2CC2)cc1.
What is the InChIKey of 3-[cyclopropyl-[(4-methoxycarbonylphenyl)methyl]amino]propanoic acid?
The InChIKey is GZBLRUSDSRSYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-20-15(19)12-4-2-11(3-5-12)10-16(13-6-7-13)9-8-14(17)18/h2-5,13H,6-10H2,1H3,(H,17,18).
What are the key properties of 3-[cyclopropyl-[(4-methoxycarbonylphenyl)methyl]amino]propanoic acid?
3-[cyclopropyl-[(4-methoxycarbonylphenyl)methyl]amino]propanoic acid has a molecular weight of 277.32 g/mol, XLogP of 1.91, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-[(4-methoxycarbonylphenyl)methyl]amino]propanoic acid is sourced from PubChem (CID 65054438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).