2-amino-2,4-dimethylpentanedioic acid

C7H13NO4 — CID 87224787

IUPAC2-amino-2,4-dimethylpentanedioic acid
SMILESCC(CC(C)(N)C(=O)O)C(=O)O
InChIInChI=1S/C7H13NO4/c1-4(5(9)10)3-7(2,8)6(11)12/h4H,3,8H2,1-2H3,(H,9,10)(H,11,12)
InChIKeyCOBNECXMKCSPHD-UHFFFAOYSA-N
MW175.18 g/mol
LogP-0.10
Rot. Bonds4

About 2-amino-2,4-dimethylpentanedioic acid

2-amino-2,4-dimethylpentanedioic acid (PubChem CID 87224787) has the molecular formula C7H13NO4 and a molecular weight of 175.18 g/mol. Its IUPAC name is 2-amino-2,4-dimethylpentanedioic acid.

Molecular Properties

Compound Name2-amino-2,4-dimethylpentanedioic acid
PubChem CID87224787
Molecular FormulaC7H13NO4
Molecular Weight175.18 g/mol
Exact Mass175.08
IUPAC Name2-amino-2,4-dimethylpentanedioic acid
SMILESCC(CC(C)(N)C(=O)O)C(=O)O
InChIInChI=1S/C7H13NO4/c1-4(5(9)10)3-7(2,8)6(11)12/h4H,3,8H2,1-2H3,(H,9,10)(H,11,12)
InChIKeyCOBNECXMKCSPHD-UHFFFAOYSA-N
XLogP-0.10
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-amino-2,4-dimethylpentanedioic 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

4-amino-2,4-dimethylpentanoic acid
CID 20501045
2-amino-4-(dimethylamino)-2-methylpentanoic acid
CID 64725828
(2R)-4-hydroxy-2,4-dimethylpentanoic acid
CID 168758888
butane-1,1,1,3-tetracarboxylic acid
CID 91030692
(2R)-4,4-difluoro-2-methylpentanoic acid
CID 156789470
2-amino-4-hydroxy-2-methylhexanoic acid
CID 87771326
2-amino-4-ethyl-2-methylhexanoic acid;hydrochloride
CID 175042752
7-amino-4,4,5,5,6,6,7,7-octahydroxy-2-methylheptanoic acid
CID 90908022
1-methylpentane-1,3,3-tricarboxylic acid
CID 23423170
(4R)-4-hydroxy-2,4,6-trimethylheptanoic acid
CID 122394912
(2R,4S)-2-amino-2,4-dimethyldecanoic acid
CID 151104039
(2S)-2-amino-2-methylbutanoic acid
CID 6971276

Frequently Asked Questions

What is the IUPAC name of 2-amino-2,4-dimethylpentanedioic acid?
The IUPAC name of 2-amino-2,4-dimethylpentanedioic acid (CID 87224787) is 2-amino-2,4-dimethylpentanedioic acid.
What is the SMILES notation for 2-amino-2,4-dimethylpentanedioic acid?
The canonical SMILES for 2-amino-2,4-dimethylpentanedioic acid is CC(CC(C)(N)C(=O)O)C(=O)O.
What is the InChIKey of 2-amino-2,4-dimethylpentanedioic acid?
The InChIKey is COBNECXMKCSPHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO4/c1-4(5(9)10)3-7(2,8)6(11)12/h4H,3,8H2,1-2H3,(H,9,10)(H,11,12).
What are the key properties of 2-amino-2,4-dimethylpentanedioic acid?
2-amino-2,4-dimethylpentanedioic acid has a molecular weight of 175.18 g/mol, XLogP of -0.10, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2,4-dimethylpentanedioic acid is sourced from PubChem (CID 87224787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).