[1-amino-2-[methyl(oxido)amino]ethyl] carbamate

C4H10N3O3- — CID 163571666

IUPAC[1-amino-2-[methyl(oxido)amino]ethyl] carbamate
SMILESCN([O-])CC(N)OC(N)=O
InChIInChI=1S/C4H10N3O3/c1-7(9)2-3(5)10-4(6)8/h3H,2,5H2,1H3,(H2,6,8)/q-1
InChIKeyUSISNEMSQNDYMG-UHFFFAOYSA-N
MW148.14 g/mol
LogP-1.20
Rot. Bonds3

About [1-amino-2-[methyl(oxido)amino]ethyl] carbamate

[1-amino-2-[methyl(oxido)amino]ethyl] carbamate (PubChem CID 163571666) has the molecular formula C4H10N3O3- and a molecular weight of 148.14 g/mol. Its IUPAC name is [1-amino-2-[methyl(oxido)amino]ethyl] carbamate.

Molecular Properties

Compound Name[1-amino-2-[methyl(oxido)amino]ethyl] carbamate
PubChem CID163571666
Molecular FormulaC4H10N3O3-
Molecular Weight148.14 g/mol
Exact Mass148.07
IUPAC Name[1-amino-2-[methyl(oxido)amino]ethyl] carbamate
SMILESCN([O-])CC(N)OC(N)=O
InChIInChI=1S/C4H10N3O3/c1-7(9)2-3(5)10-4(6)8/h3H,2,5H2,1H3,(H2,6,8)/q-1
InChIKeyUSISNEMSQNDYMG-UHFFFAOYSA-N
XLogP-1.20
TPSA104.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.14
LogP ≤ 5-1.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[amino(carbamoyloxy)methyl] carbamate
CID 87689062
[(2S)-1-(dimethylamino)-3-hydroxy-1-oxopropan-2-yl] carbamate
CID 170171988
1-[1-(dimethylamino)ethoxy]ethyl carbamate
CID 22641132
[amino(methylamino)methyl] carbamate
CID 89305252
silver;propan-2-amine;propan-2-yl carbamate
CID 172719608
1-(2-methylpropoxy)ethyl carbamate
CID 21498365
azane;propan-2-yl carbamate
CID 172769477
[1-[methoxy(methyl)amino]-4,4-dimethyl-1-oxopentan-2-yl] carbamate
CID 160785911
[3-(dimethylamino)-2-hydroxypropyl] carbamate
CID 87246058
3-hydroxybutan-2-yl carbamate
CID 20700654
(1-amino-3-methyl-1-oxopentan-2-yl) carbamate
CID 174514155
5-oxooctan-4-yl carbamate
CID 134890939

Frequently Asked Questions

What is the IUPAC name of [1-amino-2-[methyl(oxido)amino]ethyl] carbamate?
The IUPAC name of [1-amino-2-[methyl(oxido)amino]ethyl] carbamate (CID 163571666) is [1-amino-2-[methyl(oxido)amino]ethyl] carbamate.
What is the SMILES notation for [1-amino-2-[methyl(oxido)amino]ethyl] carbamate?
The canonical SMILES for [1-amino-2-[methyl(oxido)amino]ethyl] carbamate is CN([O-])CC(N)OC(N)=O.
What is the InChIKey of [1-amino-2-[methyl(oxido)amino]ethyl] carbamate?
The InChIKey is USISNEMSQNDYMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N3O3/c1-7(9)2-3(5)10-4(6)8/h3H,2,5H2,1H3,(H2,6,8)/q-1.
What are the key properties of [1-amino-2-[methyl(oxido)amino]ethyl] carbamate?
[1-amino-2-[methyl(oxido)amino]ethyl] carbamate has a molecular weight of 148.14 g/mol, XLogP of -1.20, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-amino-2-[methyl(oxido)amino]ethyl] carbamate is sourced from PubChem (CID 163571666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).