[1-amino-2-hydroxy-1-[(2-methylpropan-2-yl)oxyimino]pentan-3-yl] carbamate

C10H21N3O4 — CID 173221121

IUPAC[1-amino-2-hydroxy-1-[(2-methylpropan-2-yl)oxyimino]pentan-3-yl] carbamate
SMILESCCC(OC(N)=O)C(O)C(N)=NOC(C)(C)C
InChIInChI=1S/C10H21N3O4/c1-5-6(16-9(12)15)7(14)8(11)13-17-10(2,3)4/h6-7,14H,5H2,1-4H3,(H2,11,13)(H2,12,15)
InChIKeyZCKZXKKMKUIRGO-UHFFFAOYSA-N
MW247.29 g/mol
LogP0.31
Rot. Bonds5

About [1-amino-2-hydroxy-1-[(2-methylpropan-2-yl)oxyimino]pentan-3-yl] carbamate

[1-amino-2-hydroxy-1-[(2-methylpropan-2-yl)oxyimino]pentan-3-yl] carbamate (PubChem CID 173221121) has the molecular formula C10H21N3O4 and a molecular weight of 247.29 g/mol. Its IUPAC name is [1-amino-2-hydroxy-1-[(2-methylpropan-2-yl)oxyimino]pentan-3-yl] carbamate.

Molecular Properties

Compound Name[1-amino-2-hydroxy-1-[(2-methylpropan-2-yl)oxyimino]pentan-3-yl] carbamate
PubChem CID173221121
Molecular FormulaC10H21N3O4
Molecular Weight247.29 g/mol
Exact Mass247.15
IUPAC Name[1-amino-2-hydroxy-1-[(2-methylpropan-2-yl)oxyimino]pentan-3-yl] carbamate
SMILESCCC(OC(N)=O)C(O)C(N)=NOC(C)(C)C
InChIInChI=1S/C10H21N3O4/c1-5-6(16-9(12)15)7(14)8(11)13-17-10(2,3)4/h6-7,14H,5H2,1-4H3,(H2,11,13)(H2,12,15)
InChIKeyZCKZXKKMKUIRGO-UHFFFAOYSA-N
XLogP0.31
TPSA120.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-3-methoxypentanamide
CID 131162764
3-iodoheptan-4-yl carbamate
CID 87824448
(1-amino-3-methyl-1-oxopentan-2-yl) carbamate
CID 174514155
[6-chloro-5-(1-chloroethylidene)-4-methoxyoct-6-en-3-yl] carbamate
CID 123846000
[2-(dimethylamino)-1-triethoxysilylpentan-3-yl] carbamate
CID 175246866
(1-carbamoyloxy-3-hydroxy-2,2-dimethylpropyl) carbamate
CID 161039387
2-[(2-methylpropan-2-yl)oxyimino]propanedioic acid
CID 88615209
1-hydroxypropyl carbamate;prop-2-enoic acid
CID 87449677
2,2-dimethylheptan-3-yl carbamate
CID 175434709
tert-butyl N-(1-amino-2-hydroxy-1-oxopentan-3-yl)carbamate
CID 143352872
(1-chloro-3,3-dimethylbutan-2-yl) carbamate
CID 54122830
(3-amino-2-methylpentan-2-yl) acetate
CID 174797073

Frequently Asked Questions

What is the IUPAC name of [1-amino-2-hydroxy-1-[(2-methylpropan-2-yl)oxyimino]pentan-3-yl] carbamate?
The IUPAC name of [1-amino-2-hydroxy-1-[(2-methylpropan-2-yl)oxyimino]pentan-3-yl] carbamate (CID 173221121) is [1-amino-2-hydroxy-1-[(2-methylpropan-2-yl)oxyimino]pentan-3-yl] carbamate.
What is the SMILES notation for [1-amino-2-hydroxy-1-[(2-methylpropan-2-yl)oxyimino]pentan-3-yl] carbamate?
The canonical SMILES for [1-amino-2-hydroxy-1-[(2-methylpropan-2-yl)oxyimino]pentan-3-yl] carbamate is CCC(OC(N)=O)C(O)C(N)=NOC(C)(C)C.
What is the InChIKey of [1-amino-2-hydroxy-1-[(2-methylpropan-2-yl)oxyimino]pentan-3-yl] carbamate?
The InChIKey is ZCKZXKKMKUIRGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O4/c1-5-6(16-9(12)15)7(14)8(11)13-17-10(2,3)4/h6-7,14H,5H2,1-4H3,(H2,11,13)(H2,12,15).
What are the key properties of [1-amino-2-hydroxy-1-[(2-methylpropan-2-yl)oxyimino]pentan-3-yl] carbamate?
[1-amino-2-hydroxy-1-[(2-methylpropan-2-yl)oxyimino]pentan-3-yl] carbamate has a molecular weight of 247.29 g/mol, XLogP of 0.31, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-amino-2-hydroxy-1-[(2-methylpropan-2-yl)oxyimino]pentan-3-yl] carbamate is sourced from PubChem (CID 173221121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).