2-(2,3-dihydroxypropylamino)-2-methylpentanoic acid

C9H19NO4 — CID 82851075

IUPAC2-(2,3-dihydroxypropylamino)-2-methylpentanoic acid
SMILESCCCC(C)(NCC(O)CO)C(=O)O
InChIInChI=1S/C9H19NO4/c1-3-4-9(2,8(13)14)10-5-7(12)6-11/h7,10-12H,3-6H2,1-2H3,(H,13,14)
InChIKeyGNKSRHYZMPGYKC-UHFFFAOYSA-N
MW205.25 g/mol
LogP-0.43
Rot. Bonds7

About 2-(2,3-dihydroxypropylamino)-2-methylpentanoic acid

2-(2,3-dihydroxypropylamino)-2-methylpentanoic acid (PubChem CID 82851075) has the molecular formula C9H19NO4 and a molecular weight of 205.25 g/mol. Its IUPAC name is 2-(2,3-dihydroxypropylamino)-2-methylpentanoic acid.

Molecular Properties

Compound Name2-(2,3-dihydroxypropylamino)-2-methylpentanoic acid
PubChem CID82851075
Molecular FormulaC9H19NO4
Molecular Weight205.25 g/mol
Exact Mass205.13
IUPAC Name2-(2,3-dihydroxypropylamino)-2-methylpentanoic acid
SMILESCCCC(C)(NCC(O)CO)C(=O)O
InChIInChI=1S/C9H19NO4/c1-3-4-9(2,8(13)14)10-5-7(12)6-11/h7,10-12H,3-6H2,1-2H3,(H,13,14)
InChIKeyGNKSRHYZMPGYKC-UHFFFAOYSA-N
XLogP-0.43
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 5-0.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2-(2,3-dihydroxypropylamino)-2-methylpentanoic 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

2-methyl-2-(2-methylpropylamino)pentanoic acid
CID 43619509
2-(2,2-dihydroxyethylamino)-2-methyltetradecanoic acid
CID 151765471
2-methyl-2-(3-methylbutylamino)pentanoic acid
CID 43619536
2-[(3-hydroxy-3-methylbutyl)amino]-2-methylpentanoic acid
CID 79355808
2-methyl-2-(3,3,3-trifluoropropylamino)pentanoic acid
CID 63227923
3-(7-methyltridecan-7-ylamino)propane-1,2-diol
CID 130426560
2-(2-ethylsulfonylethylamino)-2-methylpentanoic acid
CID 43808028
2-[(2-hydroxy-3-propan-2-yloxypropyl)amino]-2-methylbutanoic acid
CID 79791571
2-methyl-2-(2-methylpentanoylamino)pentanoic acid
CID 43619107
2-methyl-2-(2-methylbutan-2-ylamino)pentanoic acid
CID 114987745
2-(2-hydroxybutylamino)-2-methylpropanoic acid
CID 65263487
2-formamido-2-methylpentanoic acid
CID 61145661

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroxypropylamino)-2-methylpentanoic acid?
The IUPAC name of 2-(2,3-dihydroxypropylamino)-2-methylpentanoic acid (CID 82851075) is 2-(2,3-dihydroxypropylamino)-2-methylpentanoic acid.
What is the SMILES notation for 2-(2,3-dihydroxypropylamino)-2-methylpentanoic acid?
The canonical SMILES for 2-(2,3-dihydroxypropylamino)-2-methylpentanoic acid is CCCC(C)(NCC(O)CO)C(=O)O.
What is the InChIKey of 2-(2,3-dihydroxypropylamino)-2-methylpentanoic acid?
The InChIKey is GNKSRHYZMPGYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO4/c1-3-4-9(2,8(13)14)10-5-7(12)6-11/h7,10-12H,3-6H2,1-2H3,(H,13,14).
What are the key properties of 2-(2,3-dihydroxypropylamino)-2-methylpentanoic acid?
2-(2,3-dihydroxypropylamino)-2-methylpentanoic acid has a molecular weight of 205.25 g/mol, XLogP of -0.43, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydroxypropylamino)-2-methylpentanoic acid is sourced from PubChem (CID 82851075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).