5-amino-2-tert-butyl-5-hydroxyimino-3,3-dimethylpentanoic acid

C11H22N2O3 — CID 173188453

IUPAC5-amino-2-tert-butyl-5-hydroxyimino-3,3-dimethylpentanoic acid
SMILESCC(C)(C)C(C(=O)O)C(C)(C)CC(N)=NO
InChIInChI=1S/C11H22N2O3/c1-10(2,3)8(9(14)15)11(4,5)6-7(12)13-16/h8,16H,6H2,1-5H3,(H2,12,13)(H,14,15)
InChIKeyZWXBFZHVQDFBTQ-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.90
Rot. Bonds4

About 5-amino-2-tert-butyl-5-hydroxyimino-3,3-dimethylpentanoic acid

5-amino-2-tert-butyl-5-hydroxyimino-3,3-dimethylpentanoic acid (PubChem CID 173188453) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 5-amino-2-tert-butyl-5-hydroxyimino-3,3-dimethylpentanoic acid.

Molecular Properties

Compound Name5-amino-2-tert-butyl-5-hydroxyimino-3,3-dimethylpentanoic acid
PubChem CID173188453
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name5-amino-2-tert-butyl-5-hydroxyimino-3,3-dimethylpentanoic acid
SMILESCC(C)(C)C(C(=O)O)C(C)(C)CC(N)=NO
InChIInChI=1S/C11H22N2O3/c1-10(2,3)8(9(14)15)11(4,5)6-7(12)13-16/h8,16H,6H2,1-5H3,(H2,12,13)(H,14,15)
InChIKeyZWXBFZHVQDFBTQ-UHFFFAOYSA-N
XLogP1.90
TPSA95.91 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(6-amino-6-hydroxyimino-2,2-dimethylhexan-3-yl)carbamic acid
CID 173464238
(2S)-2-amino-3-tert-butyl-2-methylbutanedioic acid
CID 54112864
tert-butyl 3,3-dimethylbutanoate;2-tert-butyl-3,3-dimethylbutanoic acid
CID 160513867
(3E)-3-amino-3-hydroxyiminopropanoic acid;(3Z)-3-amino-3-hydroxyiminopropanoic acid
CID 158833017
4-amino-4-hydroxyiminobutanamide
CID 71436462
N-(2-amino-2-hydroxyiminoethyl)-N,3,3-trimethylbutanamide
CID 76929143
(3-amino-3-hydroxyiminopropyl)-tert-butylcarbamic acid
CID 87562227
tert-butyl 3-amino-3-hydroxyiminopropanoate
CID 76589802
4-amino-3,3-dimethyl-2-sulfanylbutanoic acid
CID 154153268
2-[tert-butylsulfonyl(propan-2-yl)amino]-N'-hydroxyethanimidamide
CID 77044527
N-(1-amino-1-hydroxyiminopentan-3-yl)-2,2-dimethylbutanamide
CID 76953621
N'-hydroxy-3-oxobutanimidamide
CID 23339865

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-tert-butyl-5-hydroxyimino-3,3-dimethylpentanoic acid?
The IUPAC name of 5-amino-2-tert-butyl-5-hydroxyimino-3,3-dimethylpentanoic acid (CID 173188453) is 5-amino-2-tert-butyl-5-hydroxyimino-3,3-dimethylpentanoic acid.
What is the SMILES notation for 5-amino-2-tert-butyl-5-hydroxyimino-3,3-dimethylpentanoic acid?
The canonical SMILES for 5-amino-2-tert-butyl-5-hydroxyimino-3,3-dimethylpentanoic acid is CC(C)(C)C(C(=O)O)C(C)(C)CC(N)=NO.
What is the InChIKey of 5-amino-2-tert-butyl-5-hydroxyimino-3,3-dimethylpentanoic acid?
The InChIKey is ZWXBFZHVQDFBTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-10(2,3)8(9(14)15)11(4,5)6-7(12)13-16/h8,16H,6H2,1-5H3,(H2,12,13)(H,14,15).
What are the key properties of 5-amino-2-tert-butyl-5-hydroxyimino-3,3-dimethylpentanoic acid?
5-amino-2-tert-butyl-5-hydroxyimino-3,3-dimethylpentanoic acid has a molecular weight of 230.31 g/mol, XLogP of 1.90, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-tert-butyl-5-hydroxyimino-3,3-dimethylpentanoic acid is sourced from PubChem (CID 173188453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).