methyl-[(2S)-3-phenyl-2-(propylamino)propoxy]phosphinic acid

C13H22NO3P — CID 89196445

IUPACmethyl-[(2S)-3-phenyl-2-(propylamino)propoxy]phosphinic acid
SMILESCCCN[C@H](COP(C)(=O)O)Cc1ccccc1
InChIInChI=1S/C13H22NO3P/c1-3-9-14-13(11-17-18(2,15)16)10-12-7-5-4-6-8-12/h4-8,13-14H,3,9-11H2,1-2H3,(H,15,16)/t13-/m0/s1
InChIKeyFCJCUHLSKWZOQT-ZDUSSCGKSA-N
MW271.30 g/mol
LogP2.43
Rot. Bonds8

About methyl-[(2S)-3-phenyl-2-(propylamino)propoxy]phosphinic acid

methyl-[(2S)-3-phenyl-2-(propylamino)propoxy]phosphinic acid (PubChem CID 89196445) has the molecular formula C13H22NO3P and a molecular weight of 271.30 g/mol. Its IUPAC name is methyl-[(2S)-3-phenyl-2-(propylamino)propoxy]phosphinic acid.

Molecular Properties

Compound Namemethyl-[(2S)-3-phenyl-2-(propylamino)propoxy]phosphinic acid
PubChem CID89196445
Molecular FormulaC13H22NO3P
Molecular Weight271.30 g/mol
Exact Mass271.13
IUPAC Namemethyl-[(2S)-3-phenyl-2-(propylamino)propoxy]phosphinic acid
SMILESCCCN[C@H](COP(C)(=O)O)Cc1ccccc1
InChIInChI=1S/C13H22NO3P/c1-3-9-14-13(11-17-18(2,15)16)10-12-7-5-4-6-8-12/h4-8,13-14H,3,9-11H2,1-2H3,(H,15,16)/t13-/m0/s1
InChIKeyFCJCUHLSKWZOQT-ZDUSSCGKSA-N
XLogP2.43
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 52.43
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

(2R)-3-phenyl-2-(propylamino)propan-1-ol
CID 59859919
1-phenyl-N-propyl-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103214527
1-(2-methoxyphenyl)-3-phenyl-N-propylpropan-2-amine
CID 61263835
3-methyl-1-phenyl-N-propylbut-3-en-2-amine
CID 79191049
(2S)-N-(2-methoxyethyl)-1-phenylbutan-2-amine
CID 97357815
1-(2-bromophenyl)-3-phenyl-N-propylpropan-2-amine
CID 60817947
1-methoxy-3-(4-methylsulfonylphenyl)-N-propylpropan-2-amine
CID 63197601
1-phenyl-N-propylhept-5-yn-2-amine
CID 104804600
1-butan-2-ylsulfanyl-3-phenyl-N-propylpropan-2-amine
CID 65136095
prop-2-enyl 3-(butylamino)-4-phenylbutanoate
CID 23244441
N-(3-methoxypropyl)-1-phenylbutan-2-amine
CID 79007280
2-(heptylamino)-3-phenylpropan-1-ol
CID 63260589

Frequently Asked Questions

What is the IUPAC name of methyl-[(2S)-3-phenyl-2-(propylamino)propoxy]phosphinic acid?
The IUPAC name of methyl-[(2S)-3-phenyl-2-(propylamino)propoxy]phosphinic acid (CID 89196445) is methyl-[(2S)-3-phenyl-2-(propylamino)propoxy]phosphinic acid.
What is the SMILES notation for methyl-[(2S)-3-phenyl-2-(propylamino)propoxy]phosphinic acid?
The canonical SMILES for methyl-[(2S)-3-phenyl-2-(propylamino)propoxy]phosphinic acid is CCCN[C@H](COP(C)(=O)O)Cc1ccccc1.
What is the InChIKey of methyl-[(2S)-3-phenyl-2-(propylamino)propoxy]phosphinic acid?
The InChIKey is FCJCUHLSKWZOQT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H22NO3P/c1-3-9-14-13(11-17-18(2,15)16)10-12-7-5-4-6-8-12/h4-8,13-14H,3,9-11H2,1-2H3,(H,15,16)/t13-/m0/s1.
What are the key properties of methyl-[(2S)-3-phenyl-2-(propylamino)propoxy]phosphinic acid?
methyl-[(2S)-3-phenyl-2-(propylamino)propoxy]phosphinic acid has a molecular weight of 271.30 g/mol, XLogP of 2.43, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[(2S)-3-phenyl-2-(propylamino)propoxy]phosphinic acid is sourced from PubChem (CID 89196445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).