4-(tert-butylamino)-2-(hydroxymethyl)-4-oxobutanoic acid

C9H17NO4 — CID 155618310

IUPAC4-(tert-butylamino)-2-(hydroxymethyl)-4-oxobutanoic acid
SMILESCC(C)(C)NC(=O)CC(CO)C(=O)O
InChIInChI=1S/C9H17NO4/c1-9(2,3)10-7(12)4-6(5-11)8(13)14/h6,11H,4-5H2,1-3H3,(H,10,12)(H,13,14)
InChIKeyWVPYOLMLXMXNCP-UHFFFAOYSA-N
MW203.24 g/mol
LogP-0.02
Rot. Bonds4

About 4-(tert-butylamino)-2-(hydroxymethyl)-4-oxobutanoic acid

4-(tert-butylamino)-2-(hydroxymethyl)-4-oxobutanoic acid (PubChem CID 155618310) has the molecular formula C9H17NO4 and a molecular weight of 203.24 g/mol. Its IUPAC name is 4-(tert-butylamino)-2-(hydroxymethyl)-4-oxobutanoic acid.

Molecular Properties

Compound Name4-(tert-butylamino)-2-(hydroxymethyl)-4-oxobutanoic acid
PubChem CID155618310
Molecular FormulaC9H17NO4
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Name4-(tert-butylamino)-2-(hydroxymethyl)-4-oxobutanoic acid
SMILESCC(C)(C)NC(=O)CC(CO)C(=O)O
InChIInChI=1S/C9H17NO4/c1-9(2,3)10-7(12)4-6(5-11)8(13)14/h6,11H,4-5H2,1-3H3,(H,10,12)(H,13,14)
InChIKeyWVPYOLMLXMXNCP-UHFFFAOYSA-N
XLogP-0.02
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-(tert-butylamino)-2-(hydroxymethyl)-4-oxobutanoic 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-(tert-butylamino)-4-oxo-2-sulfanylbutanoic acid
CID 129098634
2-[2-(tert-butylamino)-2-oxoethyl]-3,4-dimethylpentanoic acid
CID 170086164
2-(hydroxymethyl)-4-oxohexanoic acid
CID 86044458
N-tert-butyl-2-(1-hydroxypropan-2-ylamino)acetamide
CID 43499899
N-tert-butyl-2-[[(2R)-1-hydroxypropan-2-yl]amino]acetamide
CID 93083112
3-(tert-butylamino)-3-oxopropanoic acid
CID 23009238
4-amino-N-tert-butyl-3-methylbutanamide
CID 81071972
[(2S)-1,3-dihydroxy-3-methylbutan-2-yl]carbamic acid
CID 87853068
(2R)-2-(hydroxymethyl)butanoic acid
CID 11586303
2-[2-(tert-butylamino)-2-oxoethyl]sulfonylacetic acid
CID 24709520
4-(tert-butylamino)-4-oxo-2-thiophen-2-ylbutanoic acid
CID 70083216
tert-butyl 2-amino-4-(tert-butylamino)-4-oxobutanoate
CID 87443348

Frequently Asked Questions

What is the IUPAC name of 4-(tert-butylamino)-2-(hydroxymethyl)-4-oxobutanoic acid?
The IUPAC name of 4-(tert-butylamino)-2-(hydroxymethyl)-4-oxobutanoic acid (CID 155618310) is 4-(tert-butylamino)-2-(hydroxymethyl)-4-oxobutanoic acid.
What is the SMILES notation for 4-(tert-butylamino)-2-(hydroxymethyl)-4-oxobutanoic acid?
The canonical SMILES for 4-(tert-butylamino)-2-(hydroxymethyl)-4-oxobutanoic acid is CC(C)(C)NC(=O)CC(CO)C(=O)O.
What is the InChIKey of 4-(tert-butylamino)-2-(hydroxymethyl)-4-oxobutanoic acid?
The InChIKey is WVPYOLMLXMXNCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4/c1-9(2,3)10-7(12)4-6(5-11)8(13)14/h6,11H,4-5H2,1-3H3,(H,10,12)(H,13,14).
What are the key properties of 4-(tert-butylamino)-2-(hydroxymethyl)-4-oxobutanoic acid?
4-(tert-butylamino)-2-(hydroxymethyl)-4-oxobutanoic acid has a molecular weight of 203.24 g/mol, XLogP of -0.02, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(tert-butylamino)-2-(hydroxymethyl)-4-oxobutanoic acid is sourced from PubChem (CID 155618310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).