(2R)-4-(tert-butylamino)-2-methyl-4-oxobutanoic acid

C9H17NO3 — CID 58936863

IUPAC(2R)-4-(tert-butylamino)-2-methyl-4-oxobutanoic acid
SMILESC[C@H](CC(=O)NC(C)(C)C)C(=O)O
InChIInChI=1S/C9H17NO3/c1-6(8(12)13)5-7(11)10-9(2,3)4/h6H,5H2,1-4H3,(H,10,11)(H,12,13)/t6-/m1/s1
InChIKeyUNOKGJKVXSSPKM-ZCFIWIBFSA-N
MW187.24 g/mol
LogP1.01
Rot. Bonds3

About (2R)-4-(tert-butylamino)-2-methyl-4-oxobutanoic acid

(2R)-4-(tert-butylamino)-2-methyl-4-oxobutanoic acid (PubChem CID 58936863) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is (2R)-4-(tert-butylamino)-2-methyl-4-oxobutanoic acid.

Molecular Properties

Compound Name(2R)-4-(tert-butylamino)-2-methyl-4-oxobutanoic acid
PubChem CID58936863
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name(2R)-4-(tert-butylamino)-2-methyl-4-oxobutanoic acid
SMILESC[C@H](CC(=O)NC(C)(C)C)C(=O)O
InChIInChI=1S/C9H17NO3/c1-6(8(12)13)5-7(11)10-9(2,3)4/h6H,5H2,1-4H3,(H,10,11)(H,12,13)/t6-/m1/s1
InChIKeyUNOKGJKVXSSPKM-ZCFIWIBFSA-N
XLogP1.01
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2R)-4-(tert-butylamino)-2-methyl-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

Frequently Asked Questions

What is the IUPAC name of (2R)-4-(tert-butylamino)-2-methyl-4-oxobutanoic acid?
The IUPAC name of (2R)-4-(tert-butylamino)-2-methyl-4-oxobutanoic acid (CID 58936863) is (2R)-4-(tert-butylamino)-2-methyl-4-oxobutanoic acid.
What is the SMILES notation for (2R)-4-(tert-butylamino)-2-methyl-4-oxobutanoic acid?
The canonical SMILES for (2R)-4-(tert-butylamino)-2-methyl-4-oxobutanoic acid is C[C@H](CC(=O)NC(C)(C)C)C(=O)O.
What is the InChIKey of (2R)-4-(tert-butylamino)-2-methyl-4-oxobutanoic acid?
The InChIKey is UNOKGJKVXSSPKM-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H17NO3/c1-6(8(12)13)5-7(11)10-9(2,3)4/h6H,5H2,1-4H3,(H,10,11)(H,12,13)/t6-/m1/s1.
What are the key properties of (2R)-4-(tert-butylamino)-2-methyl-4-oxobutanoic acid?
(2R)-4-(tert-butylamino)-2-methyl-4-oxobutanoic acid has a molecular weight of 187.24 g/mol, XLogP of 1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(tert-butylamino)-2-methyl-4-oxobutanoic acid is sourced from PubChem (CID 58936863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).