4-amino-5-[1-(2,5-dimethylphenyl)ethylamino]-5-oxopentanoic acid

C15H22N2O3 — CID 64887951

IUPAC4-amino-5-[1-(2,5-dimethylphenyl)ethylamino]-5-oxopentanoic acid
SMILESCc1ccc(C)c(C(C)NC(=O)C(N)CCC(=O)O)c1
InChIInChI=1S/C15H22N2O3/c1-9-4-5-10(2)12(8-9)11(3)17-15(20)13(16)6-7-14(18)19/h4-5,8,11,13H,6-7,16H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyIXIDUDHRYBNGOU-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.67
Rot. Bonds6

About 4-amino-5-[1-(2,5-dimethylphenyl)ethylamino]-5-oxopentanoic acid

4-amino-5-[1-(2,5-dimethylphenyl)ethylamino]-5-oxopentanoic acid (PubChem CID 64887951) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 4-amino-5-[1-(2,5-dimethylphenyl)ethylamino]-5-oxopentanoic acid.

Molecular Properties

Compound Name4-amino-5-[1-(2,5-dimethylphenyl)ethylamino]-5-oxopentanoic acid
PubChem CID64887951
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name4-amino-5-[1-(2,5-dimethylphenyl)ethylamino]-5-oxopentanoic acid
SMILESCc1ccc(C)c(C(C)NC(=O)C(N)CCC(=O)O)c1
InChIInChI=1S/C15H22N2O3/c1-9-4-5-10(2)12(8-9)11(3)17-15(20)13(16)6-7-14(18)19/h4-5,8,11,13H,6-7,16H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyIXIDUDHRYBNGOU-UHFFFAOYSA-N
XLogP1.67
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[1-(2,5-dimethylphenyl)ethyl]-4-methylsulfanylbutanamide
CID 61180108
2-amino-N-[1-(2,5-dimethylphenyl)ethyl]-5-methoxypentanamide
CID 81083466
2-amino-N-[1-(2,4-dimethylphenyl)ethyl]hexanamide
CID 54862005
4-amino-5-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-5-oxopentanoic acid
CID 81387858
2-amino-N-[1-(2,4-dimethylphenyl)ethyl]-4-methoxybutanamide
CID 62472493
3-amino-4-[1-(2-methoxy-5-methylphenyl)ethylamino]-4-oxobutanoic acid
CID 64896852
5-(2,5-dimethylphenyl)-5-hydroxy-4-(2-methylpropylamino)pentanoic acid
CID 82349627
3-amino-N-[1-(2,5-dimethylphenyl)ethyl]-2-methoxypropanamide
CID 106111769
2-amino-N-[1-(2-methoxy-5-methylphenyl)ethyl]pentanamide
CID 43703461
N-[1-(2,5-dimethylphenyl)ethyl]-2-phenylbutanamide
CID 17327188
3-chloro-N-[1-(2,5-dimethylphenyl)ethyl]propanamide
CID 17327223
2-amino-N-[1-(2,4-dimethylphenyl)ethyl]butanediamide
CID 54862017

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-[1-(2,5-dimethylphenyl)ethylamino]-5-oxopentanoic acid?
The IUPAC name of 4-amino-5-[1-(2,5-dimethylphenyl)ethylamino]-5-oxopentanoic acid (CID 64887951) is 4-amino-5-[1-(2,5-dimethylphenyl)ethylamino]-5-oxopentanoic acid.
What is the SMILES notation for 4-amino-5-[1-(2,5-dimethylphenyl)ethylamino]-5-oxopentanoic acid?
The canonical SMILES for 4-amino-5-[1-(2,5-dimethylphenyl)ethylamino]-5-oxopentanoic acid is Cc1ccc(C)c(C(C)NC(=O)C(N)CCC(=O)O)c1.
What is the InChIKey of 4-amino-5-[1-(2,5-dimethylphenyl)ethylamino]-5-oxopentanoic acid?
The InChIKey is IXIDUDHRYBNGOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-9-4-5-10(2)12(8-9)11(3)17-15(20)13(16)6-7-14(18)19/h4-5,8,11,13H,6-7,16H2,1-3H3,(H,17,20)(H,18,19).
What are the key properties of 4-amino-5-[1-(2,5-dimethylphenyl)ethylamino]-5-oxopentanoic acid?
4-amino-5-[1-(2,5-dimethylphenyl)ethylamino]-5-oxopentanoic acid has a molecular weight of 278.35 g/mol, XLogP of 1.67, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-[1-(2,5-dimethylphenyl)ethylamino]-5-oxopentanoic acid is sourced from PubChem (CID 64887951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).