[2-(hydroxyamino)-2-(methylamino)ethyl]carbamic acid

C4H11N3O3 — CID 167254522

IUPAC[2-(hydroxyamino)-2-(methylamino)ethyl]carbamic acid
SMILESCNC(CNC(=O)O)NO
InChIInChI=1S/C4H11N3O3/c1-5-3(7-10)2-6-4(8)9/h3,5-7,10H,2H2,1H3,(H,8,9)
InChIKeyVGOWMVJYSRJJSZ-UHFFFAOYSA-N
MW149.15 g/mol
LogP-1.22
Rot. Bonds4

About [2-(hydroxyamino)-2-(methylamino)ethyl]carbamic acid

[2-(hydroxyamino)-2-(methylamino)ethyl]carbamic acid (PubChem CID 167254522) has the molecular formula C4H11N3O3 and a molecular weight of 149.15 g/mol. Its IUPAC name is [2-(hydroxyamino)-2-(methylamino)ethyl]carbamic acid.

Molecular Properties

Compound Name[2-(hydroxyamino)-2-(methylamino)ethyl]carbamic acid
PubChem CID167254522
Molecular FormulaC4H11N3O3
Molecular Weight149.15 g/mol
Exact Mass149.08
IUPAC Name[2-(hydroxyamino)-2-(methylamino)ethyl]carbamic acid
SMILESCNC(CNC(=O)O)NO
InChIInChI=1S/C4H11N3O3/c1-5-3(7-10)2-6-4(8)9/h3,5-7,10H,2H2,1H3,(H,8,9)
InChIKeyVGOWMVJYSRJJSZ-UHFFFAOYSA-N
XLogP-1.22
TPSA93.62 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 5-1.22
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

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

[2-[(carboxyamino)methyl]-3,3-dimethylbutyl]carbamic acid
CID 90470587
2,2-dimethoxyethylcarbamic acid
CID 18938836
[(2S)-2-methylbutyl]carbamic acid
CID 147069594
(2-hydroxy-3-methylbutyl)carbamic acid
CID 135330394
(3,3-difluoro-2-methylpropyl)carbamic acid
CID 88688289
(3,3-dimethyl-2-sulfanylbutyl)carbamic acid
CID 87374025
(3-hydroxy-2-methylpentyl)carbamic acid
CID 166728849
[(2S)-2-amino-4-methylpentyl]carbamic acid
CID 155804554
[(2S)-2-fluoro-3-hydroxypropyl]carbamic acid
CID 87527949
[(2R)-2-amino-4,4-dimethylpentyl]carbamic acid
CID 87077916
[(2R)-1-(carboxyamino)-3-hydroxypropan-2-yl]carbamic acid
CID 129243469
N-[(2S)-2-(methylamino)-3-oxobutyl]acetamide
CID 142343906

Frequently Asked Questions

What is the IUPAC name of [2-(hydroxyamino)-2-(methylamino)ethyl]carbamic acid?
The IUPAC name of [2-(hydroxyamino)-2-(methylamino)ethyl]carbamic acid (CID 167254522) is [2-(hydroxyamino)-2-(methylamino)ethyl]carbamic acid.
What is the SMILES notation for [2-(hydroxyamino)-2-(methylamino)ethyl]carbamic acid?
The canonical SMILES for [2-(hydroxyamino)-2-(methylamino)ethyl]carbamic acid is CNC(CNC(=O)O)NO.
What is the InChIKey of [2-(hydroxyamino)-2-(methylamino)ethyl]carbamic acid?
The InChIKey is VGOWMVJYSRJJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N3O3/c1-5-3(7-10)2-6-4(8)9/h3,5-7,10H,2H2,1H3,(H,8,9).
What are the key properties of [2-(hydroxyamino)-2-(methylamino)ethyl]carbamic acid?
[2-(hydroxyamino)-2-(methylamino)ethyl]carbamic acid has a molecular weight of 149.15 g/mol, XLogP of -1.22, 4 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxyamino)-2-(methylamino)ethyl]carbamic acid is sourced from PubChem (CID 167254522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).