sodium hydroxy-[[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]phosphinate

C11H14N2NaO5P — CID 23676668

IUPACsodium hydroxy-[[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]phosphinate
SMILESCNC(=O)C(Cc1ccccc1)NC(=O)P(=O)([O-])O.[Na+]
InChIInChI=1S/C11H15N2O5P.Na/c1-12-10(14)9(13-11(15)19(16,17)18)7-8-5-3-2-4-6-8;/h2-6,9H,7H2,1H3,(H,12,14)(H,13,15)(H2,16,17,18);/q;+1/p-1
InChIKeyWPMGGBWVZYMEIK-UHFFFAOYSA-M
MW308.21 g/mol
LogP-3.40
Rot. Bonds5

About sodium hydroxy-[[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]phosphinate

sodium hydroxy-[[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]phosphinate (PubChem CID 23676668) has the molecular formula C11H14N2NaO5P and a molecular weight of 308.21 g/mol. Its IUPAC name is sodium hydroxy-[[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]phosphinate.

Molecular Properties

Compound Namesodium hydroxy-[[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]phosphinate
PubChem CID23676668
Molecular FormulaC11H14N2NaO5P
Molecular Weight308.21 g/mol
Exact Mass308.05
IUPAC Namesodium hydroxy-[[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]phosphinate
SMILESCNC(=O)C(Cc1ccccc1)NC(=O)P(=O)([O-])O.[Na+]
InChIInChI=1S/C11H15N2O5P.Na/c1-12-10(14)9(13-11(15)19(16,17)18)7-8-5-3-2-4-6-8;/h2-6,9H,7H2,1H3,(H,12,14)(H,13,15)(H2,16,17,18);/q;+1/p-1
InChIKeyWPMGGBWVZYMEIK-UHFFFAOYSA-M
XLogP-3.40
TPSA118.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.21
LogP ≤ 5-3.40
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

(2S)-2-acetamido-N-[(2S)-1-[[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-3-phenylpropanamide
CID 100988168
(2R)-2-[(2-aminoacetyl)amino]-N-methyl-3-phenylpropanamide
CID 11142613
(2R)-2-amino-N-[(2R)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-3-phenylpropanamide
CID 11059230
N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]cyclopropanecarboxamide
CID 54773713
(2R)-2-amino-3-methyl-N-[(2R)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]butanamide
CID 11003677
N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]pentanamide
CID 143986713
(2S)-2-[[2-[[(2S)-2-aminopropanoyl]amino]acetyl]amino]-N-methyl-3-phenylpropanamide;ethane
CID 167455115
2-formamido-N-methyl-3-phenylpropanamide
CID 14245854
2-amino-4-methyl-N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]pentanamide
CID 21262270
2-methylpropyl N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]carbamate
CID 142588377
(2S)-2-amino-4-methyl-N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]pentanamide
CID 18394511
N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-4-(pyrimidin-2-ylamino)benzamide
CID 167986727

Frequently Asked Questions

What is the IUPAC name of sodium hydroxy-[[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]phosphinate?
The IUPAC name of sodium hydroxy-[[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]phosphinate (CID 23676668) is sodium hydroxy-[[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]phosphinate.
What is the SMILES notation for sodium hydroxy-[[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]phosphinate?
The canonical SMILES for sodium hydroxy-[[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]phosphinate is CNC(=O)C(Cc1ccccc1)NC(=O)P(=O)([O-])O.[Na+].
What is the InChIKey of sodium hydroxy-[[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]phosphinate?
The InChIKey is WPMGGBWVZYMEIK-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H15N2O5P.Na/c1-12-10(14)9(13-11(15)19(16,17)18)7-8-5-3-2-4-6-8;/h2-6,9H,7H2,1H3,(H,12,14)(H,13,15)(H2,16,17,18);/q;+1/p-1.
What are the key properties of sodium hydroxy-[[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]phosphinate?
sodium hydroxy-[[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]phosphinate has a molecular weight of 308.21 g/mol, XLogP of -3.40, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium hydroxy-[[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]phosphinate is sourced from PubChem (CID 23676668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).