[(2R)-1-methoxy-3-oxopropan-2-yl] carbamate

C5H9NO4 — CID 175397204

IUPAC[(2R)-1-methoxy-3-oxopropan-2-yl] carbamate
SMILESCOC[C@H](C=O)OC(N)=O
InChIInChI=1S/C5H9NO4/c1-9-3-4(2-7)10-5(6)8/h2,4H,3H2,1H3,(H2,6,8)/t4-/m0/s1
InChIKeyZHLXKCXBYWWMPW-BYPYZUCNSA-N
MW147.13 g/mol
LogP-0.70
Rot. Bonds4

About [(2R)-1-methoxy-3-oxopropan-2-yl] carbamate

[(2R)-1-methoxy-3-oxopropan-2-yl] carbamate (PubChem CID 175397204) has the molecular formula C5H9NO4 and a molecular weight of 147.13 g/mol. Its IUPAC name is [(2R)-1-methoxy-3-oxopropan-2-yl] carbamate.

Molecular Properties

Compound Name[(2R)-1-methoxy-3-oxopropan-2-yl] carbamate
PubChem CID175397204
Molecular FormulaC5H9NO4
Molecular Weight147.13 g/mol
Exact Mass147.05
IUPAC Name[(2R)-1-methoxy-3-oxopropan-2-yl] carbamate
SMILESCOC[C@H](C=O)OC(N)=O
InChIInChI=1S/C5H9NO4/c1-9-3-4(2-7)10-5(6)8/h2,4H,3H2,1H3,(H2,6,8)/t4-/m0/s1
InChIKeyZHLXKCXBYWWMPW-BYPYZUCNSA-N
XLogP-0.70
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.13
LogP ≤ 5-0.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2,3-dimethoxypropanal
CID 12962856
(2R)-2,3-dimethoxypropanal
CID 12962855
[(2R)-1-oxo-3-phenylmethoxypropan-2-yl] carbamate
CID 175249859
2-hydroxy-3-(1-methoxy-3-oxopropan-2-yl)oxypentanal
CID 164776453
(1-cyano-2-methoxyethyl) carbamate
CID 154928164
4-oxobutan-2-yl carbamate
CID 87311597
[3-oxo-2-(2,2,3,3,3-pentafluoropropanoyloxy)propyl] 2,2,3,3,3-pentafluoropropanoate
CID 91710742
[(2S)-4-methyl-1-oxo-4-phenylpentan-2-yl] carbamate
CID 87659192
(2S)-2-amino-3-methoxypropanal
CID 18395600
[(3S)-5-methylhex-1-en-3-yl] carbamate
CID 160680423
(3-amino-4,4-dimethyl-1-oxopentan-2-yl) carbamate
CID 175468594
3-methoxy-2-methylpropanamide;hydrochloride
CID 88805694

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-methoxy-3-oxopropan-2-yl] carbamate?
The IUPAC name of [(2R)-1-methoxy-3-oxopropan-2-yl] carbamate (CID 175397204) is [(2R)-1-methoxy-3-oxopropan-2-yl] carbamate.
What is the SMILES notation for [(2R)-1-methoxy-3-oxopropan-2-yl] carbamate?
The canonical SMILES for [(2R)-1-methoxy-3-oxopropan-2-yl] carbamate is COC[C@H](C=O)OC(N)=O.
What is the InChIKey of [(2R)-1-methoxy-3-oxopropan-2-yl] carbamate?
The InChIKey is ZHLXKCXBYWWMPW-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H9NO4/c1-9-3-4(2-7)10-5(6)8/h2,4H,3H2,1H3,(H2,6,8)/t4-/m0/s1.
What are the key properties of [(2R)-1-methoxy-3-oxopropan-2-yl] carbamate?
[(2R)-1-methoxy-3-oxopropan-2-yl] carbamate has a molecular weight of 147.13 g/mol, XLogP of -0.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-methoxy-3-oxopropan-2-yl] carbamate is sourced from PubChem (CID 175397204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).