amino N-(1-phenyl-3-phosphonooxybutan-2-yl)carbamate

C11H17N2O6P — CID 140615775

IUPACamino N-(1-phenyl-3-phosphonooxybutan-2-yl)carbamate
SMILESCC(OP(=O)(O)O)C(Cc1ccccc1)NC(=O)ON
InChIInChI=1S/C11H17N2O6P/c1-8(19-20(15,16)17)10(13-11(14)18-12)7-9-5-3-2-4-6-9/h2-6,8,10H,7,12H2,1H3,(H,13,14)(H2,15,16,17)
InChIKeyWTSOZDNUYSRUBX-UHFFFAOYSA-N
MW304.24 g/mol
LogP0.70
Rot. Bonds6

About amino N-(1-phenyl-3-phosphonooxybutan-2-yl)carbamate

amino N-(1-phenyl-3-phosphonooxybutan-2-yl)carbamate (PubChem CID 140615775) has the molecular formula C11H17N2O6P and a molecular weight of 304.24 g/mol. Its IUPAC name is amino N-(1-phenyl-3-phosphonooxybutan-2-yl)carbamate.

Molecular Properties

Compound Nameamino N-(1-phenyl-3-phosphonooxybutan-2-yl)carbamate
PubChem CID140615775
Molecular FormulaC11H17N2O6P
Molecular Weight304.24 g/mol
Exact Mass304.08
IUPAC Nameamino N-(1-phenyl-3-phosphonooxybutan-2-yl)carbamate
SMILESCC(OP(=O)(O)O)C(Cc1ccccc1)NC(=O)ON
InChIInChI=1S/C11H17N2O6P/c1-8(19-20(15,16)17)10(13-11(14)18-12)7-9-5-3-2-4-6-9/h2-6,8,10H,7,12H2,1H3,(H,13,14)(H2,15,16,17)
InChIKeyWTSOZDNUYSRUBX-UHFFFAOYSA-N
XLogP0.70
TPSA131.11 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.24
LogP ≤ 50.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

amino-(1-phenyl-3-phosphonooxybutan-2-yl)carbamic acid
CID 154073361
ethyl N-(3-hydroxy-1-phenylbutan-2-yl)carbamate
CID 91156636
benzyl N-[(2R,3S,4S,5R)-3,4-dihydroxy-5-methyl-1,6-diphenylhexan-2-yl]carbamate
CID 58416941
methyl (2S)-2-amino-3-phenylpropanoate;phosphoric acid
CID 67831434
tert-butyl N-(3-methyl-1-phenylbutan-2-yl)carbamate
CID 10491812
ethyl N-(4,4-dichloro-3-hydroxy-1-phenylbutan-2-yl)carbamate
CID 57086761
2-amino-3-phenyl-N-propan-2-ylpropanamide
CID 15926064
methyl (2R,3S)-2-hydroxy-4-phenyl-3-(phenylmethoxycarbonylamino)butanoate
CID 11046151
(2R)-1-phenylpropan-2-amine;phosphoric acid
CID 76961595
methyl (2R,3R)-2,3-dimethyl-4-phenylbutanoate
CID 170849387
methyl 2-hydroxy-3-(methylamino)-4-phenylbutanoate
CID 20669273
methyl N-(6-methyl-5-oxo-1-phenyl-3-sulfanylheptan-2-yl)carbamate
CID 123401423

Frequently Asked Questions

What is the IUPAC name of amino N-(1-phenyl-3-phosphonooxybutan-2-yl)carbamate?
The IUPAC name of amino N-(1-phenyl-3-phosphonooxybutan-2-yl)carbamate (CID 140615775) is amino N-(1-phenyl-3-phosphonooxybutan-2-yl)carbamate.
What is the SMILES notation for amino N-(1-phenyl-3-phosphonooxybutan-2-yl)carbamate?
The canonical SMILES for amino N-(1-phenyl-3-phosphonooxybutan-2-yl)carbamate is CC(OP(=O)(O)O)C(Cc1ccccc1)NC(=O)ON.
What is the InChIKey of amino N-(1-phenyl-3-phosphonooxybutan-2-yl)carbamate?
The InChIKey is WTSOZDNUYSRUBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N2O6P/c1-8(19-20(15,16)17)10(13-11(14)18-12)7-9-5-3-2-4-6-9/h2-6,8,10H,7,12H2,1H3,(H,13,14)(H2,15,16,17).
What are the key properties of amino N-(1-phenyl-3-phosphonooxybutan-2-yl)carbamate?
amino N-(1-phenyl-3-phosphonooxybutan-2-yl)carbamate has a molecular weight of 304.24 g/mol, XLogP of 0.70, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for amino N-(1-phenyl-3-phosphonooxybutan-2-yl)carbamate is sourced from PubChem (CID 140615775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).