1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylphosphonous acid

C7H16NO4P — CID 19880117

IUPAC1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylphosphonous acid
SMILESCC(NC(=O)OC(C)(C)C)P(O)O
InChIInChI=1S/C7H16NO4P/c1-5(13(10)11)8-6(9)12-7(2,3)4/h5,10-11H,1-4H3,(H,8,9)
InChIKeyFGFQOPKBCWXTGZ-UHFFFAOYSA-N
MW209.18 g/mol
LogP1.15
Rot. Bonds2

About 1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylphosphonous acid

1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylphosphonous acid (PubChem CID 19880117) has the molecular formula C7H16NO4P and a molecular weight of 209.18 g/mol. Its IUPAC name is 1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylphosphonous acid.

Molecular Properties

Compound Name1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylphosphonous acid
PubChem CID19880117
Molecular FormulaC7H16NO4P
Molecular Weight209.18 g/mol
Exact Mass209.08
IUPAC Name1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylphosphonous acid
SMILESCC(NC(=O)OC(C)(C)C)P(O)O
InChIInChI=1S/C7H16NO4P/c1-5(13(10)11)8-6(9)12-7(2,3)4/h5,10-11H,1-4H3,(H,8,9)
InChIKeyFGFQOPKBCWXTGZ-UHFFFAOYSA-N
XLogP1.15
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.18
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[(2R,3S)-3,4-dimethylpentan-2-yl]carbamate
CID 174039144
tert-butyl N-[(2R)-3-methylbutan-2-yl]carbamate
CID 11014358
O-tert-butyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanethioate
CID 162514710
2-[(2-methylpropan-2-yl)oxycarbonyl(15N)amino]propanoic acid
CID 168742763
tert-butyl N-(1-hydroxy-2-methylpropyl)carbamate
CID 23292073
tert-butyl N-[(3R)-2-amino-4-methylpentan-3-yl]carbamate
CID 83350039
tert-butyl N-[(2S)-1-amino-1-oxopropan-2-yl]carbamate
CID 7015295
tert-butyl N-(4,4-dimethyl-3-oxopentan-2-yl)carbamate
CID 72641150
tert-butyl N-[(2S)-1-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-1-oxopropan-2-yl]carbamate
CID 101469112
tert-butyl N-(1-cyano-3-methylbutan-2-yl)carbamate
CID 85303813
2-sulfanylpropan-2-yl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 141480656
tert-butyl N-[(2R)-1-iodopropan-2-yl]carbamate
CID 59077105

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylphosphonous acid?
The IUPAC name of 1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylphosphonous acid (CID 19880117) is 1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylphosphonous acid.
What is the SMILES notation for 1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylphosphonous acid?
The canonical SMILES for 1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylphosphonous acid is CC(NC(=O)OC(C)(C)C)P(O)O.
What is the InChIKey of 1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylphosphonous acid?
The InChIKey is FGFQOPKBCWXTGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16NO4P/c1-5(13(10)11)8-6(9)12-7(2,3)4/h5,10-11H,1-4H3,(H,8,9).
What are the key properties of 1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylphosphonous acid?
1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylphosphonous acid has a molecular weight of 209.18 g/mol, XLogP of 1.15, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylphosphonous acid is sourced from PubChem (CID 19880117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).