methyl N-[(1R)-1-phosphanylethyl]carbamate

C4H10NO2P — CID 122592062

IUPACmethyl N-[(1R)-1-phosphanylethyl]carbamate
SMILESCOC(=O)N[C@@H](C)P
InChIInChI=1S/C4H10NO2P/c1-3(8)5-4(6)7-2/h3H,8H2,1-2H3,(H,5,6)/t3-/m1/s1
InChIKeyZZZYYDIMWHTEAK-GSVOUGTGSA-N
MW135.10 g/mol
LogP0.56
Rot. Bonds1

About methyl N-[(1R)-1-phosphanylethyl]carbamate

methyl N-[(1R)-1-phosphanylethyl]carbamate (PubChem CID 122592062) has the molecular formula C4H10NO2P and a molecular weight of 135.10 g/mol. Its IUPAC name is methyl N-[(1R)-1-phosphanylethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[(1R)-1-phosphanylethyl]carbamate
PubChem CID122592062
Molecular FormulaC4H10NO2P
Molecular Weight135.10 g/mol
Exact Mass135.04
IUPAC Namemethyl N-[(1R)-1-phosphanylethyl]carbamate
SMILESCOC(=O)N[C@@H](C)P
InChIInChI=1S/C4H10NO2P/c1-3(8)5-4(6)7-2/h3H,8H2,1-2H3,(H,5,6)/t3-/m1/s1
InChIKeyZZZYYDIMWHTEAK-GSVOUGTGSA-N
XLogP0.56
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.10
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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methyl N-(3-hydroxybutan-2-yl)carbamate
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methyl N-[(2S,3S)-2-methoxy-4-oxopentan-3-yl]carbamate
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methyl N-[(2R)-1,1-difluoropropan-2-yl]carbamate
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methyl N-[(2S)-4-methyl-3-oxopentan-2-yl]carbamate
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methyl N-(4-methyl-3-oxopentan-2-yl)carbamate
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methyl N-(4-methylpentan-2-yl)carbamate
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methyl N-[(1S)-1-cyanoethyl]carbamate
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methyl N-[(3S,4S)-4-methoxy-5-methyl-2-oxohexan-3-yl]carbamate
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Frequently Asked Questions

What is the IUPAC name of methyl N-[(1R)-1-phosphanylethyl]carbamate?
The IUPAC name of methyl N-[(1R)-1-phosphanylethyl]carbamate (CID 122592062) is methyl N-[(1R)-1-phosphanylethyl]carbamate.
What is the SMILES notation for methyl N-[(1R)-1-phosphanylethyl]carbamate?
The canonical SMILES for methyl N-[(1R)-1-phosphanylethyl]carbamate is COC(=O)N[C@@H](C)P.
What is the InChIKey of methyl N-[(1R)-1-phosphanylethyl]carbamate?
The InChIKey is ZZZYYDIMWHTEAK-GSVOUGTGSA-N. The full InChI is InChI=1S/C4H10NO2P/c1-3(8)5-4(6)7-2/h3H,8H2,1-2H3,(H,5,6)/t3-/m1/s1.
What are the key properties of methyl N-[(1R)-1-phosphanylethyl]carbamate?
methyl N-[(1R)-1-phosphanylethyl]carbamate has a molecular weight of 135.10 g/mol, XLogP of 0.56, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(1R)-1-phosphanylethyl]carbamate is sourced from PubChem (CID 122592062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).