3-[(2,3-dihydroxy-2-methylpropyl)amino]butanoic acid

C8H17NO4 — CID 66185324

IUPAC3-[(2,3-dihydroxy-2-methylpropyl)amino]butanoic acid
SMILESCC(CC(=O)O)NCC(C)(O)CO
InChIInChI=1S/C8H17NO4/c1-6(3-7(11)12)9-4-8(2,13)5-10/h6,9-10,13H,3-5H2,1-2H3,(H,11,12)
InChIKeyPBSLIDNFHAYFKK-UHFFFAOYSA-N
MW191.23 g/mol
LogP-0.82
Rot. Bonds6

About 3-[(2,3-dihydroxy-2-methylpropyl)amino]butanoic acid

3-[(2,3-dihydroxy-2-methylpropyl)amino]butanoic acid (PubChem CID 66185324) has the molecular formula C8H17NO4 and a molecular weight of 191.23 g/mol. Its IUPAC name is 3-[(2,3-dihydroxy-2-methylpropyl)amino]butanoic acid.

Molecular Properties

Compound Name3-[(2,3-dihydroxy-2-methylpropyl)amino]butanoic acid
PubChem CID66185324
Molecular FormulaC8H17NO4
Molecular Weight191.23 g/mol
Exact Mass191.12
IUPAC Name3-[(2,3-dihydroxy-2-methylpropyl)amino]butanoic acid
SMILESCC(CC(=O)O)NCC(C)(O)CO
InChIInChI=1S/C8H17NO4/c1-6(3-7(11)12)9-4-8(2,13)5-10/h6,9-10,13H,3-5H2,1-2H3,(H,11,12)
InChIKeyPBSLIDNFHAYFKK-UHFFFAOYSA-N
XLogP-0.82
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 5-0.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 3-[(2,3-dihydroxy-2-methylpropyl)amino]butanoic 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-[(2,3-dihydroxy-2-methylpropyl)amino]-N,N-dimethylpropanamide
CID 66187164
3-(4-methoxybutan-2-ylamino)-2-methylpropane-1,2-diol
CID 66168803
2-[(2,3-dihydroxy-2-methylpropyl)amino]-N-propan-2-ylacetamide
CID 66188345
3-(2,3,3-trimethylbutanoylamino)butanoic acid
CID 119347954
N-(2,3-dihydroxy-2-methylpropyl)-2-methylpropanamide
CID 66168288
4-[(2-hydroxy-2,4-dimethylpentyl)amino]pentanoic acid
CID 66178586
N-(2,3-dihydroxy-2-methylpropyl)-3-methylpentanamide
CID 114875437
1-(1-hydroxypropan-2-ylamino)-2-methylbutan-2-ol
CID 114492806
3-[[2-(propan-2-ylamino)acetyl]amino]butanoic acid
CID 61160050
3-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]butanoic acid
CID 61161578
3-[3-(hydroxymethyl)pentan-3-ylamino]butanoic acid
CID 62517979
methyl 2-[(2,3-dihydroxy-2-methylpropyl)amino]hexanoate
CID 103255975

Frequently Asked Questions

What is the IUPAC name of 3-[(2,3-dihydroxy-2-methylpropyl)amino]butanoic acid?
The IUPAC name of 3-[(2,3-dihydroxy-2-methylpropyl)amino]butanoic acid (CID 66185324) is 3-[(2,3-dihydroxy-2-methylpropyl)amino]butanoic acid.
What is the SMILES notation for 3-[(2,3-dihydroxy-2-methylpropyl)amino]butanoic acid?
The canonical SMILES for 3-[(2,3-dihydroxy-2-methylpropyl)amino]butanoic acid is CC(CC(=O)O)NCC(C)(O)CO.
What is the InChIKey of 3-[(2,3-dihydroxy-2-methylpropyl)amino]butanoic acid?
The InChIKey is PBSLIDNFHAYFKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO4/c1-6(3-7(11)12)9-4-8(2,13)5-10/h6,9-10,13H,3-5H2,1-2H3,(H,11,12).
What are the key properties of 3-[(2,3-dihydroxy-2-methylpropyl)amino]butanoic acid?
3-[(2,3-dihydroxy-2-methylpropyl)amino]butanoic acid has a molecular weight of 191.23 g/mol, XLogP of -0.82, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,3-dihydroxy-2-methylpropyl)amino]butanoic acid is sourced from PubChem (CID 66185324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).