(2S)-2-(diphenylphosphanylamino)propanoic acid

C15H16NO2P — CID 69339221

IUPAC(2S)-2-(diphenylphosphanylamino)propanoic acid
SMILESC[C@H](NP(c1ccccc1)c1ccccc1)C(=O)O
InChIInChI=1S/C15H16NO2P/c1-12(15(17)18)16-19(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-12,16H,1H3,(H,17,18)/t12-/m0/s1
InChIKeyPCEZUHRQNOOFTI-LBPRGKRZSA-N
MW273.27 g/mol
LogP2.10
Rot. Bonds5

About (2S)-2-(diphenylphosphanylamino)propanoic acid

(2S)-2-(diphenylphosphanylamino)propanoic acid (PubChem CID 69339221) has the molecular formula C15H16NO2P and a molecular weight of 273.27 g/mol. Its IUPAC name is (2S)-2-(diphenylphosphanylamino)propanoic acid.

Molecular Properties

Compound Name(2S)-2-(diphenylphosphanylamino)propanoic acid
PubChem CID69339221
Molecular FormulaC15H16NO2P
Molecular Weight273.27 g/mol
Exact Mass273.09
IUPAC Name(2S)-2-(diphenylphosphanylamino)propanoic acid
SMILESC[C@H](NP(c1ccccc1)c1ccccc1)C(=O)O
InChIInChI=1S/C15H16NO2P/c1-12(15(17)18)16-19(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-12,16H,1H3,(H,17,18)/t12-/m0/s1
InChIKeyPCEZUHRQNOOFTI-LBPRGKRZSA-N
XLogP2.10
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.27
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(diphenylphosphanylamino)propanoic acid?
The IUPAC name of (2S)-2-(diphenylphosphanylamino)propanoic acid (CID 69339221) is (2S)-2-(diphenylphosphanylamino)propanoic acid.
What is the SMILES notation for (2S)-2-(diphenylphosphanylamino)propanoic acid?
The canonical SMILES for (2S)-2-(diphenylphosphanylamino)propanoic acid is C[C@H](NP(c1ccccc1)c1ccccc1)C(=O)O.
What is the InChIKey of (2S)-2-(diphenylphosphanylamino)propanoic acid?
The InChIKey is PCEZUHRQNOOFTI-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H16NO2P/c1-12(15(17)18)16-19(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-12,16H,1H3,(H,17,18)/t12-/m0/s1.
What are the key properties of (2S)-2-(diphenylphosphanylamino)propanoic acid?
(2S)-2-(diphenylphosphanylamino)propanoic acid has a molecular weight of 273.27 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(diphenylphosphanylamino)propanoic acid is sourced from PubChem (CID 69339221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).