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

C13H16Cl2N2O3 — CID 64895020

IUPAC4-amino-5-[2-(2,4-dichlorophenyl)ethylamino]-5-oxopentanoic acid
SMILESNC(CCC(=O)O)C(=O)NCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H16Cl2N2O3/c14-9-2-1-8(10(15)7-9)5-6-17-13(20)11(16)3-4-12(18)19/h1-2,7,11H,3-6,16H2,(H,17,20)(H,18,19)
InChIKeyVHCSRDPKJONKOU-UHFFFAOYSA-N
MW319.19 g/mol
LogP1.84
Rot. Bonds7

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

4-amino-5-[2-(2,4-dichlorophenyl)ethylamino]-5-oxopentanoic acid (PubChem CID 64895020) has the molecular formula C13H16Cl2N2O3 and a molecular weight of 319.19 g/mol. Its IUPAC name is 4-amino-5-[2-(2,4-dichlorophenyl)ethylamino]-5-oxopentanoic acid.

Molecular Properties

Compound Name4-amino-5-[2-(2,4-dichlorophenyl)ethylamino]-5-oxopentanoic acid
PubChem CID64895020
Molecular FormulaC13H16Cl2N2O3
Molecular Weight319.19 g/mol
Exact Mass318.05
IUPAC Name4-amino-5-[2-(2,4-dichlorophenyl)ethylamino]-5-oxopentanoic acid
SMILESNC(CCC(=O)O)C(=O)NCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H16Cl2N2O3/c14-9-2-1-8(10(15)7-9)5-6-17-13(20)11(16)3-4-12(18)19/h1-2,7,11H,3-6,16H2,(H,17,20)(H,18,19)
InChIKeyVHCSRDPKJONKOU-UHFFFAOYSA-N
XLogP1.84
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.19
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[2-(2,4-dichlorophenyl)ethyl]pentanamide;hydrochloride
CID 119263881
2-amino-N-[2-(2,4-dichlorophenyl)ethyl]-4-methoxybutanamide
CID 55080863
2-amino-N-[2-(2,4-dichlorophenyl)ethyl]butanediamide
CID 60847585
4-amino-5-[2-(4-chlorophenyl)ethylamino]-5-oxopentanoic acid
CID 64890887
2-amino-N-[2-(2,4-dichlorophenyl)ethyl]propanamide;hydrochloride
CID 119263877
(2R)-2-amino-N-[2-(2,4-dichlorophenyl)ethyl]propanamide;hydrochloride
CID 119263879
4-[2-(2,4-dichlorophenyl)ethylamino]-4-oxobutanoic acid
CID 9151806
4-amino-5-[2-(2-fluorophenyl)ethylamino]-5-oxopentanoic acid
CID 64894439
2-bromo-N-[2-(2,4-dichlorophenyl)ethyl]-3-methylbutanamide
CID 43095602
5-amino-N-[2-(2,4-dichlorophenyl)ethyl]-4-methylpentanamide
CID 82017216
4-[2-(2,4-dichlorophenyl)ethylamino]butanoic acid
CID 43377886
2-[2-(2,4-dichlorophenyl)ethylcarbamoylamino]propanoic acid
CID 61183611

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-[2-(2,4-dichlorophenyl)ethylamino]-5-oxopentanoic acid?
The IUPAC name of 4-amino-5-[2-(2,4-dichlorophenyl)ethylamino]-5-oxopentanoic acid (CID 64895020) is 4-amino-5-[2-(2,4-dichlorophenyl)ethylamino]-5-oxopentanoic acid.
What is the SMILES notation for 4-amino-5-[2-(2,4-dichlorophenyl)ethylamino]-5-oxopentanoic acid?
The canonical SMILES for 4-amino-5-[2-(2,4-dichlorophenyl)ethylamino]-5-oxopentanoic acid is NC(CCC(=O)O)C(=O)NCCc1ccc(Cl)cc1Cl.
What is the InChIKey of 4-amino-5-[2-(2,4-dichlorophenyl)ethylamino]-5-oxopentanoic acid?
The InChIKey is VHCSRDPKJONKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O3/c14-9-2-1-8(10(15)7-9)5-6-17-13(20)11(16)3-4-12(18)19/h1-2,7,11H,3-6,16H2,(H,17,20)(H,18,19).
What are the key properties of 4-amino-5-[2-(2,4-dichlorophenyl)ethylamino]-5-oxopentanoic acid?
4-amino-5-[2-(2,4-dichlorophenyl)ethylamino]-5-oxopentanoic acid has a molecular weight of 319.19 g/mol, XLogP of 1.84, 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-(2,4-dichlorophenyl)ethylamino]-5-oxopentanoic acid is sourced from PubChem (CID 64895020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).