3-[(4-carbamoylphenyl)methyl-cyclopropylamino]propanoic acid

C14H18N2O3 — CID 60840216

IUPAC3-[(4-carbamoylphenyl)methyl-cyclopropylamino]propanoic acid
SMILESNC(=O)c1ccc(CN(CCC(=O)O)C2CC2)cc1
InChIInChI=1S/C14H18N2O3/c15-14(19)11-3-1-10(2-4-11)9-16(12-5-6-12)8-7-13(17)18/h1-4,12H,5-9H2,(H2,15,19)(H,17,18)
InChIKeyRPZYVXIKXVTLOM-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.22
Rot. Bonds7

About 3-[(4-carbamoylphenyl)methyl-cyclopropylamino]propanoic acid

3-[(4-carbamoylphenyl)methyl-cyclopropylamino]propanoic acid (PubChem CID 60840216) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 3-[(4-carbamoylphenyl)methyl-cyclopropylamino]propanoic acid.

Molecular Properties

Compound Name3-[(4-carbamoylphenyl)methyl-cyclopropylamino]propanoic acid
PubChem CID60840216
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name3-[(4-carbamoylphenyl)methyl-cyclopropylamino]propanoic acid
SMILESNC(=O)c1ccc(CN(CCC(=O)O)C2CC2)cc1
InChIInChI=1S/C14H18N2O3/c15-14(19)11-3-1-10(2-4-11)9-16(12-5-6-12)8-7-13(17)18/h1-4,12H,5-9H2,(H2,15,19)(H,17,18)
InChIKeyRPZYVXIKXVTLOM-UHFFFAOYSA-N
XLogP1.22
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-carbamoylphenyl)methyl-cyclopropylamino]butanoic acid
CID 119134489
3-[cyclopropyl-[(4-methoxycarbonylphenyl)methyl]amino]propanoic acid
CID 65054438
4-[[cyclopropyl-(3-morpholin-4-yl-3-oxopropyl)amino]methyl]benzamide
CID 46479991
4-[[cyclopropyl-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]amino]methyl]benzamide
CID 46572351
3-[benzyl(cyclohexyl)amino]propanoic acid
CID 82327522
3-[(4-aminophenyl)methyl-cyclopropylamino]propanamide
CID 43460663
4-[[(4-aminocyclohexyl)-ethylamino]methyl]benzamide
CID 79115625
3-[[2-carboxyethyl(cyclopropyl)amino]methyl]benzoic acid
CID 82327896
3-[cyclopropyl(thiophen-3-ylmethyl)amino]propanoic acid
CID 60838165
3-[cyclopropyl-[(3-hydroxyphenyl)methyl]amino]propanoic acid
CID 65054828
3-[cyclopropyl-[(4-pyrazol-1-ylphenyl)methyl]amino]propanoic acid
CID 60840230
4-[[methyl-(4-methylcyclohexyl)amino]methyl]benzamide
CID 47129854

Frequently Asked Questions

What is the IUPAC name of 3-[(4-carbamoylphenyl)methyl-cyclopropylamino]propanoic acid?
The IUPAC name of 3-[(4-carbamoylphenyl)methyl-cyclopropylamino]propanoic acid (CID 60840216) is 3-[(4-carbamoylphenyl)methyl-cyclopropylamino]propanoic acid.
What is the SMILES notation for 3-[(4-carbamoylphenyl)methyl-cyclopropylamino]propanoic acid?
The canonical SMILES for 3-[(4-carbamoylphenyl)methyl-cyclopropylamino]propanoic acid is NC(=O)c1ccc(CN(CCC(=O)O)C2CC2)cc1.
What is the InChIKey of 3-[(4-carbamoylphenyl)methyl-cyclopropylamino]propanoic acid?
The InChIKey is RPZYVXIKXVTLOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c15-14(19)11-3-1-10(2-4-11)9-16(12-5-6-12)8-7-13(17)18/h1-4,12H,5-9H2,(H2,15,19)(H,17,18).
What are the key properties of 3-[(4-carbamoylphenyl)methyl-cyclopropylamino]propanoic acid?
3-[(4-carbamoylphenyl)methyl-cyclopropylamino]propanoic acid has a molecular weight of 262.31 g/mol, XLogP of 1.22, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-carbamoylphenyl)methyl-cyclopropylamino]propanoic acid is sourced from PubChem (CID 60840216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).