(2R)-3-phenyl-2-(phosphanylamino)propanoic acid

C9H12NO2P — CID 70012014

IUPAC(2R)-3-phenyl-2-(phosphanylamino)propanoic acid
SMILESO=C(O)[C@@H](Cc1ccccc1)NP
InChIInChI=1S/C9H12NO2P/c11-9(12)8(10-13)6-7-4-2-1-3-5-7/h1-5,8,10H,6,13H2,(H,11,12)/t8-/m1/s1
InChIKeyJZDBURVECWNANC-MRVPVSSYSA-N
MW197.17 g/mol
LogP1.06
Rot. Bonds4

About (2R)-3-phenyl-2-(phosphanylamino)propanoic acid

(2R)-3-phenyl-2-(phosphanylamino)propanoic acid (PubChem CID 70012014) has the molecular formula C9H12NO2P and a molecular weight of 197.17 g/mol. Its IUPAC name is (2R)-3-phenyl-2-(phosphanylamino)propanoic acid.

Molecular Properties

Compound Name(2R)-3-phenyl-2-(phosphanylamino)propanoic acid
PubChem CID70012014
Molecular FormulaC9H12NO2P
Molecular Weight197.17 g/mol
Exact Mass197.06
IUPAC Name(2R)-3-phenyl-2-(phosphanylamino)propanoic acid
SMILESO=C(O)[C@@H](Cc1ccccc1)NP
InChIInChI=1S/C9H12NO2P/c11-9(12)8(10-13)6-7-4-2-1-3-5-7/h1-5,8,10H,6,13H2,(H,11,12)/t8-/m1/s1
InChIKeyJZDBURVECWNANC-MRVPVSSYSA-N
XLogP1.06
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.17
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[2-[(1S)-1-carboxy-2-phenylethyl]hydrazinyl]-3-phenylpropanoic acid
CID 11989622
(2S)-2-(methylamino)-3-phenylpropanoic acid
CID 6951135
(2S)-2-(benzylamino)-3-phenylpropanoic acid
CID 11832004
(2S)-2-[[(E)-4-[[(1S)-1-carboxy-2-phenylethyl]amino]-4-oxobut-2-enoyl]amino]-3-phenylpropanoic acid
CID 70442166
CID 175223992
CID 175223992
2-[[4,6-bis[(1-carboxy-2-phenylethyl)amino]-1,3,5-triazin-2-yl]amino]-3-phenylpropanoic acid
CID 90051144
2-[[(1S)-1-carboxyethyl]amino]-3-phenylpropanoic acid
CID 155261941
(2S)-2-(tert-butylamino)-3-phenylpropanoic acid;hydrochloride
CID 66836735
(2S)-2-[carboxymethyl(deuterio)amino]-3-phenylpropanoic acid
CID 88696539
2-(2-methylpropanoylamino)-3-phenylpropanoic acid
CID 11118012
(2S)-2-(ethenylamino)-3-phenylpropanoic acid;hydrobromide
CID 67919740
(2R)-2-(acridin-9-ylamino)-3-phenylpropanoic acid
CID 7723199

Frequently Asked Questions

What is the IUPAC name of (2R)-3-phenyl-2-(phosphanylamino)propanoic acid?
The IUPAC name of (2R)-3-phenyl-2-(phosphanylamino)propanoic acid (CID 70012014) is (2R)-3-phenyl-2-(phosphanylamino)propanoic acid.
What is the SMILES notation for (2R)-3-phenyl-2-(phosphanylamino)propanoic acid?
The canonical SMILES for (2R)-3-phenyl-2-(phosphanylamino)propanoic acid is O=C(O)[C@@H](Cc1ccccc1)NP.
What is the InChIKey of (2R)-3-phenyl-2-(phosphanylamino)propanoic acid?
The InChIKey is JZDBURVECWNANC-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H12NO2P/c11-9(12)8(10-13)6-7-4-2-1-3-5-7/h1-5,8,10H,6,13H2,(H,11,12)/t8-/m1/s1.
What are the key properties of (2R)-3-phenyl-2-(phosphanylamino)propanoic acid?
(2R)-3-phenyl-2-(phosphanylamino)propanoic acid has a molecular weight of 197.17 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-phenyl-2-(phosphanylamino)propanoic acid is sourced from PubChem (CID 70012014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).