(4S)-5-amino-4-[(3,4-dimethoxyphenyl)methylamino]-5-oxopentanoic acid

C14H20N2O5 — CID 67334155

IUPAC(4S)-5-amino-4-[(3,4-dimethoxyphenyl)methylamino]-5-oxopentanoic acid
SMILESCOc1ccc(CN[C@@H](CCC(=O)O)C(N)=O)cc1OC
InChIInChI=1S/C14H20N2O5/c1-20-11-5-3-9(7-12(11)21-2)8-16-10(14(15)19)4-6-13(17)18/h3,5,7,10,16H,4,6,8H2,1-2H3,(H2,15,19)(H,17,18)/t10-/m0/s1
InChIKeyZNDOOCGICHMQIK-JTQLQIEISA-N
MW296.32 g/mol
LogP0.51
Rot. Bonds9

About (4S)-5-amino-4-[(3,4-dimethoxyphenyl)methylamino]-5-oxopentanoic acid

(4S)-5-amino-4-[(3,4-dimethoxyphenyl)methylamino]-5-oxopentanoic acid (PubChem CID 67334155) has the molecular formula C14H20N2O5 and a molecular weight of 296.32 g/mol. Its IUPAC name is (4S)-5-amino-4-[(3,4-dimethoxyphenyl)methylamino]-5-oxopentanoic acid.

Molecular Properties

Compound Name(4S)-5-amino-4-[(3,4-dimethoxyphenyl)methylamino]-5-oxopentanoic acid
PubChem CID67334155
Molecular FormulaC14H20N2O5
Molecular Weight296.32 g/mol
Exact Mass296.14
IUPAC Name(4S)-5-amino-4-[(3,4-dimethoxyphenyl)methylamino]-5-oxopentanoic acid
SMILESCOc1ccc(CN[C@@H](CCC(=O)O)C(N)=O)cc1OC
InChIInChI=1S/C14H20N2O5/c1-20-11-5-3-9(7-12(11)21-2)8-16-10(14(15)19)4-6-13(17)18/h3,5,7,10,16H,4,6,8H2,1-2H3,(H2,15,19)(H,17,18)/t10-/m0/s1
InChIKeyZNDOOCGICHMQIK-JTQLQIEISA-N
XLogP0.51
TPSA110.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (4S)-5-amino-4-[(3,4-dimethoxyphenyl)methylamino]-5-oxopentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4S)-5-amino-4-[(3,4-dimethylphenyl)methylamino]-5-oxopentanoic acid
CID 67333166
(2R)-2-[(3,4-dimethoxyphenyl)methylamino]-3-sulfanylpropanoic acid
CID 87287970
(4S)-5-amino-4-[(2,4-dimethoxyphenyl)methylamino]-5-oxopentanoic acid
CID 67333483
4-[(3,4-dimethoxyphenyl)methylamino]-5-phenylpentanoic acid
CID 120511858
2-[(3,4-dimethoxyphenyl)methylamino]butanoic acid
CID 64668160
6-[(3,4-dimethoxyphenyl)methylamino]-4-methylhexanoic acid
CID 65289864
(3R)-3-[(3,4-dimethoxyphenyl)methylamino]-4-methylpentanoic acid
CID 69227121
2-[(3,4-dimethoxyphenyl)methylamino]-3-hydroxybutanoic acid
CID 82364254
(4S)-5-[(3,4-dimethoxyphenyl)methylamino]-5-oxo-4-[(4-phenylbenzoyl)amino]pentanoic acid
CID 67333080
2-[(3-ethoxy-4-methoxyphenyl)methylamino]butanoic acid
CID 82364722
(2S)-2-[(3-methoxyphenyl)methylamino]pentanedioic acid
CID 10683241
2-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]pentanoic acid
CID 65054789

Frequently Asked Questions

What is the IUPAC name of (4S)-5-amino-4-[(3,4-dimethoxyphenyl)methylamino]-5-oxopentanoic acid?
The IUPAC name of (4S)-5-amino-4-[(3,4-dimethoxyphenyl)methylamino]-5-oxopentanoic acid (CID 67334155) is (4S)-5-amino-4-[(3,4-dimethoxyphenyl)methylamino]-5-oxopentanoic acid.
What is the SMILES notation for (4S)-5-amino-4-[(3,4-dimethoxyphenyl)methylamino]-5-oxopentanoic acid?
The canonical SMILES for (4S)-5-amino-4-[(3,4-dimethoxyphenyl)methylamino]-5-oxopentanoic acid is COc1ccc(CN[C@@H](CCC(=O)O)C(N)=O)cc1OC.
What is the InChIKey of (4S)-5-amino-4-[(3,4-dimethoxyphenyl)methylamino]-5-oxopentanoic acid?
The InChIKey is ZNDOOCGICHMQIK-JTQLQIEISA-N. The full InChI is InChI=1S/C14H20N2O5/c1-20-11-5-3-9(7-12(11)21-2)8-16-10(14(15)19)4-6-13(17)18/h3,5,7,10,16H,4,6,8H2,1-2H3,(H2,15,19)(H,17,18)/t10-/m0/s1.
What are the key properties of (4S)-5-amino-4-[(3,4-dimethoxyphenyl)methylamino]-5-oxopentanoic acid?
(4S)-5-amino-4-[(3,4-dimethoxyphenyl)methylamino]-5-oxopentanoic acid has a molecular weight of 296.32 g/mol, XLogP of 0.51, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-5-amino-4-[(3,4-dimethoxyphenyl)methylamino]-5-oxopentanoic acid is sourced from PubChem (CID 67334155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).