2-hydroxy-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylimino]butanoic acid

C10H17NO5 — CID 175265990

IUPAC2-hydroxy-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylimino]butanoic acid
SMILESCC(C)(C)OC(=O)N=CCC(C)(O)C(=O)O
InChIInChI=1S/C10H17NO5/c1-9(2,3)16-8(14)11-6-5-10(4,15)7(12)13/h6,15H,5H2,1-4H3,(H,12,13)
InChIKeyVJMOAISKYFQYEH-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.22
Rot. Bonds3

About 2-hydroxy-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylimino]butanoic acid

2-hydroxy-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylimino]butanoic acid (PubChem CID 175265990) has the molecular formula C10H17NO5 and a molecular weight of 231.25 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylimino]butanoic acid.

Molecular Properties

Compound Name2-hydroxy-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylimino]butanoic acid
PubChem CID175265990
Molecular FormulaC10H17NO5
Molecular Weight231.25 g/mol
Exact Mass231.11
IUPAC Name2-hydroxy-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylimino]butanoic acid
SMILESCC(C)(C)OC(=O)N=CCC(C)(O)C(=O)O
InChIInChI=1S/C10H17NO5/c1-9(2,3)16-8(14)11-6-5-10(4,15)7(12)13/h6,15H,5H2,1-4H3,(H,12,13)
InChIKeyVJMOAISKYFQYEH-UHFFFAOYSA-N
XLogP1.22
TPSA96.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-hydroxy-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylimino]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

tert-butyl (NE)-N-heptylidenecarbamate
CID 135071465
(2R)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylimino]butanoic acid
CID 174692646
tert-butyl N-(5-methylhexylidene)carbamate
CID 57324162
tert-butyl (NZ)-N-(aminomethylidene)carbamate
CID 82467777
2-hydroxy-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 66174172
tert-butyl N-[5-hydroxy-2-(hydroxymethyl)-4,4-dimethylpentylidene]carbamate
CID 167004167
tert-butyl N-(2-hydroxyiminoethyl)-N-methylcarbamate
CID 163398675
tert-butyl (NE)-N-[(E)-3-phenylprop-2-enylidene]carbamate
CID 11195611
tert-butyl N-[1-[2-(dimethylamino)ethylideneamino]-2-methyl-1-sulfanylidenepropan-2-yl]carbamate
CID 89267094
tert-butyl N-(3-amino-2-bromobut-2-enylidene)carbamate
CID 159506766
tert-butyl (NE)-N-[(2-bromophenyl)methylidene]carbamate
CID 11666353
tert-butyl N-pentan-3-ylidenecarbamate
CID 123157234

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylimino]butanoic acid?
The IUPAC name of 2-hydroxy-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylimino]butanoic acid (CID 175265990) is 2-hydroxy-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylimino]butanoic acid.
What is the SMILES notation for 2-hydroxy-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylimino]butanoic acid?
The canonical SMILES for 2-hydroxy-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylimino]butanoic acid is CC(C)(C)OC(=O)N=CCC(C)(O)C(=O)O.
What is the InChIKey of 2-hydroxy-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylimino]butanoic acid?
The InChIKey is VJMOAISKYFQYEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO5/c1-9(2,3)16-8(14)11-6-5-10(4,15)7(12)13/h6,15H,5H2,1-4H3,(H,12,13).
What are the key properties of 2-hydroxy-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylimino]butanoic acid?
2-hydroxy-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylimino]butanoic acid has a molecular weight of 231.25 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylimino]butanoic acid is sourced from PubChem (CID 175265990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).