3-[[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]propanoic acid

C15H19ClN2O3 — CID 60838351

IUPAC3-[[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]propanoic acid
SMILESO=C(O)CCN(CC(=O)NCc1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C15H19ClN2O3/c16-12-3-1-11(2-4-12)9-17-14(19)10-18(13-5-6-13)8-7-15(20)21/h1-4,13H,5-10H2,(H,17,19)(H,20,21)
InChIKeyUUDZIQUZOBCCFM-UHFFFAOYSA-N
MW310.78 g/mol
LogP1.90
Rot. Bonds8

About 3-[[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]propanoic acid

3-[[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]propanoic acid (PubChem CID 60838351) has the molecular formula C15H19ClN2O3 and a molecular weight of 310.78 g/mol. Its IUPAC name is 3-[[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]propanoic acid.

Molecular Properties

Compound Name3-[[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]propanoic acid
PubChem CID60838351
Molecular FormulaC15H19ClN2O3
Molecular Weight310.78 g/mol
Exact Mass310.11
IUPAC Name3-[[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]propanoic acid
SMILESO=C(O)CCN(CC(=O)NCc1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C15H19ClN2O3/c16-12-3-1-11(2-4-12)9-17-14(19)10-18(13-5-6-13)8-7-15(20)21/h1-4,13H,5-10H2,(H,17,19)(H,20,21)
InChIKeyUUDZIQUZOBCCFM-UHFFFAOYSA-N
XLogP1.90
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorophenyl)methyl]-2-[cyclopropyl(2-hydroxyethyl)amino]acetamide
CID 60967771
N-[(4-chlorophenyl)methyl]-2-[cyclopentyl(2-hydroxyethyl)amino]acetamide
CID 60912428
N-[(4-chlorophenyl)methyl]-3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]propanamide
CID 84566497
3-[cyclopropyl-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]amino]propanoic acid
CID 60838363
2-[(4-chlorophenyl)methylcarbamoyl-cyclopropylamino]acetic acid
CID 54978380
4-[(4-chlorophenyl)methylamino]-4-oxobutanoic acid
CID 879591
3-[cyclopentyl-[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]propanoic acid
CID 82326863
3-[cyclopropyl-[2-oxo-2-(propylamino)ethyl]amino]propanoic acid
CID 60839017
4-[[3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]propanoylamino]methyl]benzoic acid
CID 84566498
N-[(4-chlorophenyl)methyl]-2-[cyclohexyl(methylsulfonyl)amino]acetamide
CID 989289
N-[(4-chlorophenyl)methyl]-2-[cyclopropyl-[(1S)-1-(2-fluorophenyl)ethyl]amino]acetamide
CID 51965688
N-[(4-chlorophenyl)methyl]-3-[cycloheptyl(methylsulfonyl)amino]propanamide
CID 113140992

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]propanoic acid?
The IUPAC name of 3-[[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]propanoic acid (CID 60838351) is 3-[[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]propanoic acid.
What is the SMILES notation for 3-[[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]propanoic acid?
The canonical SMILES for 3-[[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]propanoic acid is O=C(O)CCN(CC(=O)NCc1ccc(Cl)cc1)C1CC1.
What is the InChIKey of 3-[[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]propanoic acid?
The InChIKey is UUDZIQUZOBCCFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O3/c16-12-3-1-11(2-4-12)9-17-14(19)10-18(13-5-6-13)8-7-15(20)21/h1-4,13H,5-10H2,(H,17,19)(H,20,21).
What are the key properties of 3-[[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]propanoic acid?
3-[[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]propanoic acid has a molecular weight of 310.78 g/mol, XLogP of 1.90, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]propanoic acid is sourced from PubChem (CID 60838351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).