(1-amino-2-methyl-1-phenylpropan-2-yl)phosphonic acid;2-hydroxypropanoic acid

C13H22NO6P — CID 68614393

IUPAC(1-amino-2-methyl-1-phenylpropan-2-yl)phosphonic acid;2-hydroxypropanoic acid
SMILESCC(C)(C(N)c1ccccc1)P(=O)(O)O.CC(O)C(=O)O
InChIInChI=1S/C10H16NO3P.C3H6O3/c1-10(2,15(12,13)14)9(11)8-6-4-3-5-7-8;1-2(4)3(5)6/h3-7,9H,11H2,1-2H3,(H2,12,13,14);2,4H,1H3,(H,5,6)
InChIKeyKFGMAWVADRNKAU-UHFFFAOYSA-N
MW319.29 g/mol
LogP1.09
Rot. Bonds4

About (1-amino-2-methyl-1-phenylpropan-2-yl)phosphonic acid;2-hydroxypropanoic acid

(1-amino-2-methyl-1-phenylpropan-2-yl)phosphonic acid;2-hydroxypropanoic acid (PubChem CID 68614393) has the molecular formula C13H22NO6P and a molecular weight of 319.29 g/mol. Its IUPAC name is (1-amino-2-methyl-1-phenylpropan-2-yl)phosphonic acid;2-hydroxypropanoic acid.

Molecular Properties

Compound Name(1-amino-2-methyl-1-phenylpropan-2-yl)phosphonic acid;2-hydroxypropanoic acid
PubChem CID68614393
Molecular FormulaC13H22NO6P
Molecular Weight319.29 g/mol
Exact Mass319.12
IUPAC Name(1-amino-2-methyl-1-phenylpropan-2-yl)phosphonic acid;2-hydroxypropanoic acid
SMILESCC(C)(C(N)c1ccccc1)P(=O)(O)O.CC(O)C(=O)O
InChIInChI=1S/C10H16NO3P.C3H6O3/c1-10(2,15(12,13)14)9(11)8-6-4-3-5-7-8;1-2(4)3(5)6/h3-7,9H,11H2,1-2H3,(H2,12,13,14);2,4H,1H3,(H,5,6)
InChIKeyKFGMAWVADRNKAU-UHFFFAOYSA-N
XLogP1.09
TPSA141.08 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.29
LogP ≤ 51.09
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R,3R)-2,3-diamino-2-methyl-3-phenylpropanoic acid
CID 24999684
[(1R,2S)-1,2-diamino-1-(4-phenoxyphenyl)propan-2-yl]phosphonic acid
CID 102389288
methane;(2R)-2-phenylpropanoic acid
CID 162174165
2-phenylpropanoic acid;hydrate
CID 139796091
2-phenylpropanoic acid;dihydrochloride
CID 162109025
diphenylmethanamine;phosphoric acid
CID 67153031
2-amino-4-hydroxy-3,3-dimethylbutanoic acid;2-phenylpropanoic acid
CID 159816827
methyl 3-amino-2,2-dimethyl-3-phenylpropanoate;hydrochloride
CID 14426986
[(1S)-1-phenylethyl]phosphonic acid
CID 10511745
(1R)-1-phenylethanamine;propan-2-one
CID 54416751
dimethylphosphoryl(phenyl)methanol
CID 58658737
(2S)-2-amino-3-methylbutanoic acid;2-hydroxy-2-phenylacetic acid
CID 67781255

Frequently Asked Questions

What is the IUPAC name of (1-amino-2-methyl-1-phenylpropan-2-yl)phosphonic acid;2-hydroxypropanoic acid?
The IUPAC name of (1-amino-2-methyl-1-phenylpropan-2-yl)phosphonic acid;2-hydroxypropanoic acid (CID 68614393) is (1-amino-2-methyl-1-phenylpropan-2-yl)phosphonic acid;2-hydroxypropanoic acid.
What is the SMILES notation for (1-amino-2-methyl-1-phenylpropan-2-yl)phosphonic acid;2-hydroxypropanoic acid?
The canonical SMILES for (1-amino-2-methyl-1-phenylpropan-2-yl)phosphonic acid;2-hydroxypropanoic acid is CC(C)(C(N)c1ccccc1)P(=O)(O)O.CC(O)C(=O)O.
What is the InChIKey of (1-amino-2-methyl-1-phenylpropan-2-yl)phosphonic acid;2-hydroxypropanoic acid?
The InChIKey is KFGMAWVADRNKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16NO3P.C3H6O3/c1-10(2,15(12,13)14)9(11)8-6-4-3-5-7-8;1-2(4)3(5)6/h3-7,9H,11H2,1-2H3,(H2,12,13,14);2,4H,1H3,(H,5,6).
What are the key properties of (1-amino-2-methyl-1-phenylpropan-2-yl)phosphonic acid;2-hydroxypropanoic acid?
(1-amino-2-methyl-1-phenylpropan-2-yl)phosphonic acid;2-hydroxypropanoic acid has a molecular weight of 319.29 g/mol, XLogP of 1.09, 4 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-2-methyl-1-phenylpropan-2-yl)phosphonic acid;2-hydroxypropanoic acid is sourced from PubChem (CID 68614393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).