4-[(4-carbamoylphenyl)methyl-cyclopropylamino]butanoic acid

C15H20N2O3 — CID 119134489

IUPAC4-[(4-carbamoylphenyl)methyl-cyclopropylamino]butanoic acid
SMILESNC(=O)c1ccc(CN(CCCC(=O)O)C2CC2)cc1
InChIInChI=1S/C15H20N2O3/c16-15(20)12-5-3-11(4-6-12)10-17(13-7-8-13)9-1-2-14(18)19/h3-6,13H,1-2,7-10H2,(H2,16,20)(H,18,19)
InChIKeyMUKPXSKMBBLKSL-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.61
Rot. Bonds8

About 4-[(4-carbamoylphenyl)methyl-cyclopropylamino]butanoic acid

4-[(4-carbamoylphenyl)methyl-cyclopropylamino]butanoic acid (PubChem CID 119134489) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 4-[(4-carbamoylphenyl)methyl-cyclopropylamino]butanoic acid.

Molecular Properties

Compound Name4-[(4-carbamoylphenyl)methyl-cyclopropylamino]butanoic acid
PubChem CID119134489
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name4-[(4-carbamoylphenyl)methyl-cyclopropylamino]butanoic acid
SMILESNC(=O)c1ccc(CN(CCCC(=O)O)C2CC2)cc1
InChIInChI=1S/C15H20N2O3/c16-15(20)12-5-3-11(4-6-12)10-17(13-7-8-13)9-1-2-14(18)19/h3-6,13H,1-2,7-10H2,(H2,16,20)(H,18,19)
InChIKeyMUKPXSKMBBLKSL-UHFFFAOYSA-N
XLogP1.61
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-carbamoylphenyl)methyl-cyclopropylamino]propanoic acid
CID 60840216
4-[(4-carbamoylphenyl)methyl-methylamino]butanoic acid
CID 55005830
3-[cyclopropyl-[(4-methoxycarbonylphenyl)methyl]amino]propanoic acid
CID 65054438
4-[[cyclopropyl-(3-morpholin-4-yl-3-oxopropyl)amino]methyl]benzamide
CID 46479991
4-[[(4-aminocyclohexyl)-ethylamino]methyl]benzamide
CID 79115625
4-[[cyclopropyl(piperidin-2-ylmethyl)amino]methyl]benzamide
CID 106631671
3-[(4-aminophenyl)methyl-cyclopropylamino]propanamide
CID 43460663
4-[[cyclopropyl(2-hydroxyethyl)amino]methyl]benzenecarbothioamide
CID 54995340
4-[[methyl-(4-methylcyclohexyl)amino]methyl]benzamide
CID 47129854
4-[[cyclopropyl-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]amino]methyl]benzamide
CID 46572351
4-[cyclopropyl(thiophen-2-ylmethyl)amino]butanoic acid
CID 61448812
3-[cyclopropyl-[(4-pyrazol-1-ylphenyl)methyl]amino]propanoic acid
CID 60840230

Frequently Asked Questions

What is the IUPAC name of 4-[(4-carbamoylphenyl)methyl-cyclopropylamino]butanoic acid?
The IUPAC name of 4-[(4-carbamoylphenyl)methyl-cyclopropylamino]butanoic acid (CID 119134489) is 4-[(4-carbamoylphenyl)methyl-cyclopropylamino]butanoic acid.
What is the SMILES notation for 4-[(4-carbamoylphenyl)methyl-cyclopropylamino]butanoic acid?
The canonical SMILES for 4-[(4-carbamoylphenyl)methyl-cyclopropylamino]butanoic acid is NC(=O)c1ccc(CN(CCCC(=O)O)C2CC2)cc1.
What is the InChIKey of 4-[(4-carbamoylphenyl)methyl-cyclopropylamino]butanoic acid?
The InChIKey is MUKPXSKMBBLKSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c16-15(20)12-5-3-11(4-6-12)10-17(13-7-8-13)9-1-2-14(18)19/h3-6,13H,1-2,7-10H2,(H2,16,20)(H,18,19).
What are the key properties of 4-[(4-carbamoylphenyl)methyl-cyclopropylamino]butanoic acid?
4-[(4-carbamoylphenyl)methyl-cyclopropylamino]butanoic acid has a molecular weight of 276.34 g/mol, XLogP of 1.61, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-carbamoylphenyl)methyl-cyclopropylamino]butanoic acid is sourced from PubChem (CID 119134489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).