benzyl-N-[(2-methylpropan-2-yl)oxycarbonyl]phosphonamidic acid

C12H18NO4P — CID 54530386

IUPACbenzyl-N-[(2-methylpropan-2-yl)oxycarbonyl]phosphonamidic acid
SMILESCC(C)(C)OC(=O)NP(=O)(O)Cc1ccccc1
InChIInChI=1S/C12H18NO4P/c1-12(2,3)17-11(14)13-18(15,16)9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H2,13,14,15,16)
InChIKeyYWCKISSLBRKGRH-UHFFFAOYSA-N
MW271.25 g/mol
LogP2.90
Rot. Bonds3

About benzyl-N-[(2-methylpropan-2-yl)oxycarbonyl]phosphonamidic acid

benzyl-N-[(2-methylpropan-2-yl)oxycarbonyl]phosphonamidic acid (PubChem CID 54530386) has the molecular formula C12H18NO4P and a molecular weight of 271.25 g/mol. Its IUPAC name is benzyl-N-[(2-methylpropan-2-yl)oxycarbonyl]phosphonamidic acid.

Molecular Properties

Compound Namebenzyl-N-[(2-methylpropan-2-yl)oxycarbonyl]phosphonamidic acid
PubChem CID54530386
Molecular FormulaC12H18NO4P
Molecular Weight271.25 g/mol
Exact Mass271.10
IUPAC Namebenzyl-N-[(2-methylpropan-2-yl)oxycarbonyl]phosphonamidic acid
SMILESCC(C)(C)OC(=O)NP(=O)(O)Cc1ccccc1
InChIInChI=1S/C12H18NO4P/c1-12(2,3)17-11(14)13-18(15,16)9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H2,13,14,15,16)
InChIKeyYWCKISSLBRKGRH-UHFFFAOYSA-N
XLogP2.90
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.25
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-(2-phenylethyl)carbamate;ethane
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tert-butyl N-diphenylphosphoryloxycarbamate
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tert-butyl N-(2-benzylhydrazinyl)carbamate
CID 69172873
methyl (2R)-2-benzyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 10565656
tert-butyl N-[2-(benzylamino)ethyl]carbamate;hydrochloride
CID 14418525
tert-butyl N-[4-[(2-phenylacetyl)amino]phenyl]carbamate
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tert-butyl N-[(Z)-3-phenylprop-1-enyl]carbamate
CID 11983772
tert-butyl N-[(1S)-1-diethoxyphosphoryl-2-phenylethyl]carbamate
CID 10570312
tert-butyl N-[2-(diphenylphosphorylamino)ethyl]carbamate
CID 98469800
tert-butyl N-[(2S)-1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropyl]selanyl-3-phenylpropan-2-yl]carbamate
CID 102155876
tert-butyl N-[(2R)-3-oxo-1-phenylbutan-2-yl]carbamate
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tert-butyl N-(3-methyl-1-phenylbutan-2-yl)carbamate
CID 10491812

Frequently Asked Questions

What is the IUPAC name of benzyl-N-[(2-methylpropan-2-yl)oxycarbonyl]phosphonamidic acid?
The IUPAC name of benzyl-N-[(2-methylpropan-2-yl)oxycarbonyl]phosphonamidic acid (CID 54530386) is benzyl-N-[(2-methylpropan-2-yl)oxycarbonyl]phosphonamidic acid.
What is the SMILES notation for benzyl-N-[(2-methylpropan-2-yl)oxycarbonyl]phosphonamidic acid?
The canonical SMILES for benzyl-N-[(2-methylpropan-2-yl)oxycarbonyl]phosphonamidic acid is CC(C)(C)OC(=O)NP(=O)(O)Cc1ccccc1.
What is the InChIKey of benzyl-N-[(2-methylpropan-2-yl)oxycarbonyl]phosphonamidic acid?
The InChIKey is YWCKISSLBRKGRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18NO4P/c1-12(2,3)17-11(14)13-18(15,16)9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H2,13,14,15,16).
What are the key properties of benzyl-N-[(2-methylpropan-2-yl)oxycarbonyl]phosphonamidic acid?
benzyl-N-[(2-methylpropan-2-yl)oxycarbonyl]phosphonamidic acid has a molecular weight of 271.25 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-N-[(2-methylpropan-2-yl)oxycarbonyl]phosphonamidic acid is sourced from PubChem (CID 54530386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).