(6-amino-6-hydroxyimino-2,2-dimethylhexan-3-yl)carbamic acid

C9H19N3O3 — CID 173464238

IUPAC(6-amino-6-hydroxyimino-2,2-dimethylhexan-3-yl)carbamic acid
SMILESCC(C)(C)C(CCC(N)=NO)NC(=O)O
InChIInChI=1S/C9H19N3O3/c1-9(2,3)6(11-8(13)14)4-5-7(10)12-15/h6,11,15H,4-5H2,1-3H3,(H2,10,12)(H,13,14)
InChIKeyQKGCRBBUCWLDHZ-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.20
Rot. Bonds4

About (6-amino-6-hydroxyimino-2,2-dimethylhexan-3-yl)carbamic acid

(6-amino-6-hydroxyimino-2,2-dimethylhexan-3-yl)carbamic acid (PubChem CID 173464238) has the molecular formula C9H19N3O3 and a molecular weight of 217.27 g/mol. Its IUPAC name is (6-amino-6-hydroxyimino-2,2-dimethylhexan-3-yl)carbamic acid.

Molecular Properties

Compound Name(6-amino-6-hydroxyimino-2,2-dimethylhexan-3-yl)carbamic acid
PubChem CID173464238
Molecular FormulaC9H19N3O3
Molecular Weight217.27 g/mol
Exact Mass217.14
IUPAC Name(6-amino-6-hydroxyimino-2,2-dimethylhexan-3-yl)carbamic acid
SMILESCC(C)(C)C(CCC(N)=NO)NC(=O)O
InChIInChI=1S/C9H19N3O3/c1-9(2,3)6(11-8(13)14)4-5-7(10)12-15/h6,11,15H,4-5H2,1-3H3,(H2,10,12)(H,13,14)
InChIKeyQKGCRBBUCWLDHZ-UHFFFAOYSA-N
XLogP1.20
TPSA107.94 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.20
H-Bond Donors ≤ 54
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

(1-hydroxy-4,4-dimethylpentan-3-yl)carbamic acid
CID 87203972
(2S)-5-amino-2-hydrazinyl-5-hydroxyiminopentanoic acid
CID 150696785
2,2-dimethylheptan-3-ylcarbamic acid
CID 175434707
2,2-dimethylhept-6-en-3-ylcarbamic acid
CID 175244688
(2R)-5-amino-2-(carboxyamino)-5-oxopentanoic acid
CID 150215384
5-amino-2-tert-butyl-5-hydroxyimino-3,3-dimethylpentanoic acid
CID 173188453
(2R)-5-amino-5-oxo-2-(2,3,3-trimethylbutylcarbamoylamino)pentanoic acid
CID 107831064
(2S)-5-amino-2-[(2-amino-2-methylpropanoyl)amino]-5-oxopentanoic acid
CID 61267028
(2R)-5-amino-2-[(2-amino-3-methylbutanoyl)amino]-5-oxopentanoic acid
CID 114006033
5-amino-2-(tert-butylcarbamoylamino)-5-oxopentanoic acid
CID 43210526
(3-amino-3-hydroxyiminopropyl)-tert-butylcarbamic acid
CID 87562227
(2S)-5-amino-2-[(3-hydroxy-3-methylbutanoyl)amino]-5-oxopentanoic acid
CID 90239937

Frequently Asked Questions

What is the IUPAC name of (6-amino-6-hydroxyimino-2,2-dimethylhexan-3-yl)carbamic acid?
The IUPAC name of (6-amino-6-hydroxyimino-2,2-dimethylhexan-3-yl)carbamic acid (CID 173464238) is (6-amino-6-hydroxyimino-2,2-dimethylhexan-3-yl)carbamic acid.
What is the SMILES notation for (6-amino-6-hydroxyimino-2,2-dimethylhexan-3-yl)carbamic acid?
The canonical SMILES for (6-amino-6-hydroxyimino-2,2-dimethylhexan-3-yl)carbamic acid is CC(C)(C)C(CCC(N)=NO)NC(=O)O.
What is the InChIKey of (6-amino-6-hydroxyimino-2,2-dimethylhexan-3-yl)carbamic acid?
The InChIKey is QKGCRBBUCWLDHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O3/c1-9(2,3)6(11-8(13)14)4-5-7(10)12-15/h6,11,15H,4-5H2,1-3H3,(H2,10,12)(H,13,14).
What are the key properties of (6-amino-6-hydroxyimino-2,2-dimethylhexan-3-yl)carbamic acid?
(6-amino-6-hydroxyimino-2,2-dimethylhexan-3-yl)carbamic acid has a molecular weight of 217.27 g/mol, XLogP of 1.20, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-amino-6-hydroxyimino-2,2-dimethylhexan-3-yl)carbamic acid is sourced from PubChem (CID 173464238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).