[[(2S)-1-hydroxy-3-oxopropan-2-yl]amino] N-ethyl-N-methylcarbamate

C7H14N2O4 — CID 166042788

IUPAC[[(2S)-1-hydroxy-3-oxopropan-2-yl]amino] N-ethyl-N-methylcarbamate
SMILESCCN(C)C(=O)ON[C@H](C=O)CO
InChIInChI=1S/C7H14N2O4/c1-3-9(2)7(12)13-8-6(4-10)5-11/h4,6,8,11H,3,5H2,1-2H3/t6-/m1/s1
InChIKeyWKUCFSBGHZEVBJ-ZCFIWIBFSA-N
MW190.20 g/mol
LogP-0.86
Rot. Bonds5

About [[(2S)-1-hydroxy-3-oxopropan-2-yl]amino] N-ethyl-N-methylcarbamate

[[(2S)-1-hydroxy-3-oxopropan-2-yl]amino] N-ethyl-N-methylcarbamate (PubChem CID 166042788) has the molecular formula C7H14N2O4 and a molecular weight of 190.20 g/mol. Its IUPAC name is [[(2S)-1-hydroxy-3-oxopropan-2-yl]amino] N-ethyl-N-methylcarbamate.

Molecular Properties

Compound Name[[(2S)-1-hydroxy-3-oxopropan-2-yl]amino] N-ethyl-N-methylcarbamate
PubChem CID166042788
Molecular FormulaC7H14N2O4
Molecular Weight190.20 g/mol
Exact Mass190.10
IUPAC Name[[(2S)-1-hydroxy-3-oxopropan-2-yl]amino] N-ethyl-N-methylcarbamate
SMILESCCN(C)C(=O)ON[C@H](C=O)CO
InChIInChI=1S/C7H14N2O4/c1-3-9(2)7(12)13-8-6(4-10)5-11/h4,6,8,11H,3,5H2,1-2H3/t6-/m1/s1
InChIKeyWKUCFSBGHZEVBJ-ZCFIWIBFSA-N
XLogP-0.86
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 5-0.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [[(2S)-1-hydroxy-3-oxopropan-2-yl]amino] N-ethyl-N-methylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-oxoethyl N-ethyl-N-methylcarbamate
CID 174878771
(3R)-N-ethyl-N,3-dimethyl-4-oxobutanamide
CID 163561617
N,N-dimethyl-3-(methylamino)-4-oxobutanamide
CID 155015110
butyl N-[(2S)-1-hydroxy-3-oxopropan-2-yl]carbamate
CID 174370782
1-(methylamino)propan-2-yl N-ethyl-N-methylcarbamate
CID 79337101
(2S)-3-hydroxy-2-(sulfanylamino)propanal
CID 89400189
1-ethyl-3-[(2R)-1-hydroxypropan-2-yl]-1-methylurea
CID 79159397
ethane;prop-2-enyl N-ethyl-N-methylcarbamate
CID 142891984
[[ethyl(methyl)carbamoyl]amino] formate
CID 162223401
2-(2,2-dimethoxyethylamino)-N-ethyl-N-methylacetamide
CID 107813321
2-aminoethyl N-ethyl-N-methylcarbamate
CID 58684517
N-ethyl-2-(hydroxymethyl)-N-methylbutanamide
CID 115186409

Frequently Asked Questions

What is the IUPAC name of [[(2S)-1-hydroxy-3-oxopropan-2-yl]amino] N-ethyl-N-methylcarbamate?
The IUPAC name of [[(2S)-1-hydroxy-3-oxopropan-2-yl]amino] N-ethyl-N-methylcarbamate (CID 166042788) is [[(2S)-1-hydroxy-3-oxopropan-2-yl]amino] N-ethyl-N-methylcarbamate.
What is the SMILES notation for [[(2S)-1-hydroxy-3-oxopropan-2-yl]amino] N-ethyl-N-methylcarbamate?
The canonical SMILES for [[(2S)-1-hydroxy-3-oxopropan-2-yl]amino] N-ethyl-N-methylcarbamate is CCN(C)C(=O)ON[C@H](C=O)CO.
What is the InChIKey of [[(2S)-1-hydroxy-3-oxopropan-2-yl]amino] N-ethyl-N-methylcarbamate?
The InChIKey is WKUCFSBGHZEVBJ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H14N2O4/c1-3-9(2)7(12)13-8-6(4-10)5-11/h4,6,8,11H,3,5H2,1-2H3/t6-/m1/s1.
What are the key properties of [[(2S)-1-hydroxy-3-oxopropan-2-yl]amino] N-ethyl-N-methylcarbamate?
[[(2S)-1-hydroxy-3-oxopropan-2-yl]amino] N-ethyl-N-methylcarbamate has a molecular weight of 190.20 g/mol, XLogP of -0.86, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [[(2S)-1-hydroxy-3-oxopropan-2-yl]amino] N-ethyl-N-methylcarbamate is sourced from PubChem (CID 166042788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).