(2S)-2,5-diamino-3,4-dimethyl-5-oxopentanoic acid

C7H14N2O3 — CID 54362580

IUPAC(2S)-2,5-diamino-3,4-dimethyl-5-oxopentanoic acid
SMILESCC(C(N)=O)C(C)[C@H](N)C(=O)O
InChIInChI=1S/C7H14N2O3/c1-3(4(2)6(9)10)5(8)7(11)12/h3-5H,8H2,1-2H3,(H2,9,10)(H,11,12)/t3?,4?,5-/m0/s1
InChIKeyUNNMCZGATOLESU-YCXLAJEKSA-N
MW174.20 g/mol
LogP-0.84
Rot. Bonds4

About (2S)-2,5-diamino-3,4-dimethyl-5-oxopentanoic acid

(2S)-2,5-diamino-3,4-dimethyl-5-oxopentanoic acid (PubChem CID 54362580) has the molecular formula C7H14N2O3 and a molecular weight of 174.20 g/mol. Its IUPAC name is (2S)-2,5-diamino-3,4-dimethyl-5-oxopentanoic acid.

Molecular Properties

Compound Name(2S)-2,5-diamino-3,4-dimethyl-5-oxopentanoic acid
PubChem CID54362580
Molecular FormulaC7H14N2O3
Molecular Weight174.20 g/mol
Exact Mass174.10
IUPAC Name(2S)-2,5-diamino-3,4-dimethyl-5-oxopentanoic acid
SMILESCC(C(N)=O)C(C)[C@H](N)C(=O)O
InChIInChI=1S/C7H14N2O3/c1-3(4(2)6(9)10)5(8)7(11)12/h3-5H,8H2,1-2H3,(H2,9,10)(H,11,12)/t3?,4?,5-/m0/s1
InChIKeyUNNMCZGATOLESU-YCXLAJEKSA-N
XLogP-0.84
TPSA106.41 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 5-0.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2S)-2,5-diamino-3,4-dimethyl-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

(2R,3R)-2-amino-3,4-dimethylpentanoic acid
CID 87919550
(2R)-2-amino-4-hydroxy-3-methylpentanoic acid
CID 89103200
(2S,3S)-2-amino-4-hydroxy-3-methylpentanoic acid
CID 55283948
2-amino-3-methylbutanedioic acid
CID 852
(2S)-2-amino-3-methylbutanamide;(2S)-2-amino-3-methylbutanoic acid
CID 175839028
2,3-dimethylbutanediamide
CID 55281411
(3S)-2-amino-3-sulfanylbutanoic acid
CID 118648902
(2R)-2-(15N)azanyl-3-methylbutanoic acid
CID 10558606
2-amino-3-hydroxybutanoic acid;urea
CID 174908114
(2R,3S)-2,3-diaminobutanoic acid;dihydrochloride
CID 15941603
(2R,3R)-2,3-diaminobutanoic acid;dihydrochloride
CID 71463685
(2S,3R)-2-amino-3-hydroxybutanoic acid
CID 158974218

Frequently Asked Questions

What is the IUPAC name of (2S)-2,5-diamino-3,4-dimethyl-5-oxopentanoic acid?
The IUPAC name of (2S)-2,5-diamino-3,4-dimethyl-5-oxopentanoic acid (CID 54362580) is (2S)-2,5-diamino-3,4-dimethyl-5-oxopentanoic acid.
What is the SMILES notation for (2S)-2,5-diamino-3,4-dimethyl-5-oxopentanoic acid?
The canonical SMILES for (2S)-2,5-diamino-3,4-dimethyl-5-oxopentanoic acid is CC(C(N)=O)C(C)[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2,5-diamino-3,4-dimethyl-5-oxopentanoic acid?
The InChIKey is UNNMCZGATOLESU-YCXLAJEKSA-N. The full InChI is InChI=1S/C7H14N2O3/c1-3(4(2)6(9)10)5(8)7(11)12/h3-5H,8H2,1-2H3,(H2,9,10)(H,11,12)/t3?,4?,5-/m0/s1.
What are the key properties of (2S)-2,5-diamino-3,4-dimethyl-5-oxopentanoic acid?
(2S)-2,5-diamino-3,4-dimethyl-5-oxopentanoic acid has a molecular weight of 174.20 g/mol, XLogP of -0.84, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,5-diamino-3,4-dimethyl-5-oxopentanoic acid is sourced from PubChem (CID 54362580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).