4-amino-5-[2-(4-chlorophenyl)ethylamino]-5-oxopentanoic acid

C13H17ClN2O3 — CID 64890887

IUPAC4-amino-5-[2-(4-chlorophenyl)ethylamino]-5-oxopentanoic acid
SMILESNC(CCC(=O)O)C(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C13H17ClN2O3/c14-10-3-1-9(2-4-10)7-8-16-13(19)11(15)5-6-12(17)18/h1-4,11H,5-8,15H2,(H,16,19)(H,17,18)
InChIKeyZIOYPDCNFMDKFS-UHFFFAOYSA-N
MW284.74 g/mol
LogP1.19
Rot. Bonds7

About 4-amino-5-[2-(4-chlorophenyl)ethylamino]-5-oxopentanoic acid

4-amino-5-[2-(4-chlorophenyl)ethylamino]-5-oxopentanoic acid (PubChem CID 64890887) has the molecular formula C13H17ClN2O3 and a molecular weight of 284.74 g/mol. Its IUPAC name is 4-amino-5-[2-(4-chlorophenyl)ethylamino]-5-oxopentanoic acid.

Molecular Properties

Compound Name4-amino-5-[2-(4-chlorophenyl)ethylamino]-5-oxopentanoic acid
PubChem CID64890887
Molecular FormulaC13H17ClN2O3
Molecular Weight284.74 g/mol
Exact Mass284.09
IUPAC Name4-amino-5-[2-(4-chlorophenyl)ethylamino]-5-oxopentanoic acid
SMILESNC(CCC(=O)O)C(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C13H17ClN2O3/c14-10-3-1-9(2-4-10)7-8-16-13(19)11(15)5-6-12(17)18/h1-4,11H,5-8,15H2,(H,16,19)(H,17,18)
InChIKeyZIOYPDCNFMDKFS-UHFFFAOYSA-N
XLogP1.19
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.74
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-5-oxo-5-(2-pyridin-4-ylethylamino)pentanoic acid
CID 64890850
4-amino-5-[2-(4-nitrophenyl)ethylamino]-5-oxopentanoic acid
CID 64888177
4-amino-5-[2-(2,4-dichlorophenyl)ethylamino]-5-oxopentanoic acid
CID 64895020
(2R)-2-amino-3-(4-chlorophenyl)-N-(2-phenylethyl)propanamide
CID 70832630
(2R)-2-amino-N-[2-(4-chlorophenyl)ethyl]butanediamide
CID 83340796
(2R)-2-amino-N-[2-(4-chlorophenyl)ethyl]propanamide
CID 78973575
4-amino-5-[2-(2-fluorophenyl)ethylamino]-5-oxopentanoic acid
CID 64894439
2-amino-N-[2-(4-chlorophenyl)ethyl]-3-methylbutanamide;hydrochloride
CID 119263480
5-[2-(4-chlorophenyl)ethylcarbamoylamino]hexanoic acid
CID 82847209
2-(4-chlorophenyl)ethylcarbamic acid
CID 57014413
4-amino-5-[2-(furan-2-yl)ethylamino]-5-oxopentanoic acid
CID 64895823
4-amino-5-[2-(cyclohexen-1-yl)ethylamino]-5-oxopentanoic acid
CID 64896000

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-[2-(4-chlorophenyl)ethylamino]-5-oxopentanoic acid?
The IUPAC name of 4-amino-5-[2-(4-chlorophenyl)ethylamino]-5-oxopentanoic acid (CID 64890887) is 4-amino-5-[2-(4-chlorophenyl)ethylamino]-5-oxopentanoic acid.
What is the SMILES notation for 4-amino-5-[2-(4-chlorophenyl)ethylamino]-5-oxopentanoic acid?
The canonical SMILES for 4-amino-5-[2-(4-chlorophenyl)ethylamino]-5-oxopentanoic acid is NC(CCC(=O)O)C(=O)NCCc1ccc(Cl)cc1.
What is the InChIKey of 4-amino-5-[2-(4-chlorophenyl)ethylamino]-5-oxopentanoic acid?
The InChIKey is ZIOYPDCNFMDKFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O3/c14-10-3-1-9(2-4-10)7-8-16-13(19)11(15)5-6-12(17)18/h1-4,11H,5-8,15H2,(H,16,19)(H,17,18).
What are the key properties of 4-amino-5-[2-(4-chlorophenyl)ethylamino]-5-oxopentanoic acid?
4-amino-5-[2-(4-chlorophenyl)ethylamino]-5-oxopentanoic acid has a molecular weight of 284.74 g/mol, XLogP of 1.19, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-[2-(4-chlorophenyl)ethylamino]-5-oxopentanoic acid is sourced from PubChem (CID 64890887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).