[(3R,4S)-1-diazo-3-methyl-4-[(2-methylpropan-2-yl)oxy]-2-oxopentan-3-yl]carbamic acid

C11H19N3O4 — CID 91533532

IUPAC[(3R,4S)-1-diazo-3-methyl-4-[(2-methylpropan-2-yl)oxy]-2-oxopentan-3-yl]carbamic acid
SMILESC[C@H](OC(C)(C)C)[C@@](C)(NC(=O)O)C(=O)C=[N+]=[N-]
InChIInChI=1S/C11H19N3O4/c1-7(18-10(2,3)4)11(5,14-9(16)17)8(15)6-13-12/h6-7,14H,1-5H3,(H,16,17)/t7-,11+/m0/s1
InChIKeyKLUGFROZYCESJI-WRWORJQWSA-N
MW257.29 g/mol
LogP1.09
Rot. Bonds5

About [(3R,4S)-1-diazo-3-methyl-4-[(2-methylpropan-2-yl)oxy]-2-oxopentan-3-yl]carbamic acid

[(3R,4S)-1-diazo-3-methyl-4-[(2-methylpropan-2-yl)oxy]-2-oxopentan-3-yl]carbamic acid (PubChem CID 91533532) has the molecular formula C11H19N3O4 and a molecular weight of 257.29 g/mol. Its IUPAC name is [(3R,4S)-1-diazo-3-methyl-4-[(2-methylpropan-2-yl)oxy]-2-oxopentan-3-yl]carbamic acid.

Molecular Properties

Compound Name[(3R,4S)-1-diazo-3-methyl-4-[(2-methylpropan-2-yl)oxy]-2-oxopentan-3-yl]carbamic acid
PubChem CID91533532
Molecular FormulaC11H19N3O4
Molecular Weight257.29 g/mol
Exact Mass257.14
IUPAC Name[(3R,4S)-1-diazo-3-methyl-4-[(2-methylpropan-2-yl)oxy]-2-oxopentan-3-yl]carbamic acid
SMILESC[C@H](OC(C)(C)C)[C@@](C)(NC(=O)O)C(=O)C=[N+]=[N-]
InChIInChI=1S/C11H19N3O4/c1-7(18-10(2,3)4)11(5,14-9(16)17)8(15)6-13-12/h6-7,14H,1-5H3,(H,16,17)/t7-,11+/m0/s1
InChIKeyKLUGFROZYCESJI-WRWORJQWSA-N
XLogP1.09
TPSA112.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze [(3R,4S)-1-diazo-3-methyl-4-[(2-methylpropan-2-yl)oxy]-2-oxopentan-3-yl]carbamic acid with MolForge

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Related Compounds

(4-diazo-2-methyl-3-oxobutan-2-yl)carbamic acid
CID 136995244
(4R)-1-diazo-4-[(2-methylpropan-2-yl)oxy]pentan-2-one
CID 90987376
tert-butyl N-[(3S,4R)-1-diazo-4-methyl-2-oxohexan-3-yl]carbamate
CID 135511827
tert-butyl N-[(2S)-4-diazo-2-methyl-3-oxobutyl]carbamate
CID 143729973
tert-butyl N-[(2S)-5-diazo-4-oxopentan-2-yl]carbamate
CID 101058178
(2S,3R)-2-ethyl-3-[(2-methylpropan-2-yl)oxy]butanoic acid
CID 143229027
2-diazo-N-methylacetamide
CID 54133620
tert-butyl N-(1-diazo-5-methyl-2-oxohexan-3-yl)carbamate
CID 3633983
2-[2-[2-methyl-3-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxyethylamino]acetic acid
CID 146637362
(2S)-2-[1-[(2-methylpropan-2-yl)oxy]ethylamino]propanoic acid
CID 166753884
2-(methylamino)-3-[(2-methylpropan-2-yl)oxy]butanoic acid
CID 15601072
(2S)-2-(methylamino)-3-[(2-methylpropan-2-yl)oxy]butanoic acid
CID 87326965

Frequently Asked Questions

What is the IUPAC name of [(3R,4S)-1-diazo-3-methyl-4-[(2-methylpropan-2-yl)oxy]-2-oxopentan-3-yl]carbamic acid?
The IUPAC name of [(3R,4S)-1-diazo-3-methyl-4-[(2-methylpropan-2-yl)oxy]-2-oxopentan-3-yl]carbamic acid (CID 91533532) is [(3R,4S)-1-diazo-3-methyl-4-[(2-methylpropan-2-yl)oxy]-2-oxopentan-3-yl]carbamic acid.
What is the SMILES notation for [(3R,4S)-1-diazo-3-methyl-4-[(2-methylpropan-2-yl)oxy]-2-oxopentan-3-yl]carbamic acid?
The canonical SMILES for [(3R,4S)-1-diazo-3-methyl-4-[(2-methylpropan-2-yl)oxy]-2-oxopentan-3-yl]carbamic acid is C[C@H](OC(C)(C)C)[C@@](C)(NC(=O)O)C(=O)C=[N+]=[N-].
What is the InChIKey of [(3R,4S)-1-diazo-3-methyl-4-[(2-methylpropan-2-yl)oxy]-2-oxopentan-3-yl]carbamic acid?
The InChIKey is KLUGFROZYCESJI-WRWORJQWSA-N. The full InChI is InChI=1S/C11H19N3O4/c1-7(18-10(2,3)4)11(5,14-9(16)17)8(15)6-13-12/h6-7,14H,1-5H3,(H,16,17)/t7-,11+/m0/s1.
What are the key properties of [(3R,4S)-1-diazo-3-methyl-4-[(2-methylpropan-2-yl)oxy]-2-oxopentan-3-yl]carbamic acid?
[(3R,4S)-1-diazo-3-methyl-4-[(2-methylpropan-2-yl)oxy]-2-oxopentan-3-yl]carbamic acid has a molecular weight of 257.29 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4S)-1-diazo-3-methyl-4-[(2-methylpropan-2-yl)oxy]-2-oxopentan-3-yl]carbamic acid is sourced from PubChem (CID 91533532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).