methyl N-[(2R,3R)-3-hydroxy-1-oxobutan-2-yl]carbamate

C6H11NO4 — CID 123686900

IUPACmethyl N-[(2R,3R)-3-hydroxy-1-oxobutan-2-yl]carbamate
SMILESCOC(=O)N[C@@H](C=O)[C@@H](C)O
InChIInChI=1S/C6H11NO4/c1-4(9)5(3-8)7-6(10)11-2/h3-5,9H,1-2H3,(H,7,10)/t4-,5+/m1/s1
InChIKeyCNIYGZQZEVUKOT-UHNVWZDZSA-N
MW161.16 g/mol
LogP-0.71
Rot. Bonds3

About methyl N-[(2R,3R)-3-hydroxy-1-oxobutan-2-yl]carbamate

methyl N-[(2R,3R)-3-hydroxy-1-oxobutan-2-yl]carbamate (PubChem CID 123686900) has the molecular formula C6H11NO4 and a molecular weight of 161.16 g/mol. Its IUPAC name is methyl N-[(2R,3R)-3-hydroxy-1-oxobutan-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[(2R,3R)-3-hydroxy-1-oxobutan-2-yl]carbamate
PubChem CID123686900
Molecular FormulaC6H11NO4
Molecular Weight161.16 g/mol
Exact Mass161.07
IUPAC Namemethyl N-[(2R,3R)-3-hydroxy-1-oxobutan-2-yl]carbamate
SMILESCOC(=O)N[C@@H](C=O)[C@@H](C)O
InChIInChI=1S/C6H11NO4/c1-4(9)5(3-8)7-6(10)11-2/h3-5,9H,1-2H3,(H,7,10)/t4-,5+/m1/s1
InChIKeyCNIYGZQZEVUKOT-UHNVWZDZSA-N
XLogP-0.71
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl N-[(2R,3R)-3-hydroxy-1-oxobutan-2-yl]carbamate 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

methyl N-(3-hydroxybutan-2-yl)carbamate
CID 20667189
tert-butyl N-(3-methyl-1-oxobutan-2-yl)carbamate
CID 545985
tert-butyl N-[(2S)-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamate
CID 173092430
3-hydroxy-2-(methoxycarbonylamino)butanethioic S-acid
CID 123609347
methyl N-[(1R)-1-phosphanylethyl]carbamate
CID 122592062
methyl N-(3-methylbutan-2-yl)carbamate
CID 3614647
methyl N-(1-fluoroethyl)carbamate
CID 166647333
(2S,3R)-3-hydroxy-2-(methoxycarbonylamino)butanoic acid;methane;sulfane
CID 161287453
tert-butyl N-[(2S)-1-[[(2S)-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]carbamate
CID 51050043
2-hydroxy(1,2,3-13C3)propanal
CID 169442815
methyl N-[(2S,3S,5S)-2-hydroxy-4-oxo-5-sulfanylhexan-3-yl]carbamate
CID 153093857
methyl N-(1-cyclopropyl-2-hydroxypropyl)carbamate
CID 126707476

Frequently Asked Questions

What is the IUPAC name of methyl N-[(2R,3R)-3-hydroxy-1-oxobutan-2-yl]carbamate?
The IUPAC name of methyl N-[(2R,3R)-3-hydroxy-1-oxobutan-2-yl]carbamate (CID 123686900) is methyl N-[(2R,3R)-3-hydroxy-1-oxobutan-2-yl]carbamate.
What is the SMILES notation for methyl N-[(2R,3R)-3-hydroxy-1-oxobutan-2-yl]carbamate?
The canonical SMILES for methyl N-[(2R,3R)-3-hydroxy-1-oxobutan-2-yl]carbamate is COC(=O)N[C@@H](C=O)[C@@H](C)O.
What is the InChIKey of methyl N-[(2R,3R)-3-hydroxy-1-oxobutan-2-yl]carbamate?
The InChIKey is CNIYGZQZEVUKOT-UHNVWZDZSA-N. The full InChI is InChI=1S/C6H11NO4/c1-4(9)5(3-8)7-6(10)11-2/h3-5,9H,1-2H3,(H,7,10)/t4-,5+/m1/s1.
What are the key properties of methyl N-[(2R,3R)-3-hydroxy-1-oxobutan-2-yl]carbamate?
methyl N-[(2R,3R)-3-hydroxy-1-oxobutan-2-yl]carbamate has a molecular weight of 161.16 g/mol, XLogP of -0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(2R,3R)-3-hydroxy-1-oxobutan-2-yl]carbamate is sourced from PubChem (CID 123686900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).