(2R)-2-phenyl-2-(phosphonomethylamino)acetic acid

C9H12NO5P — CID 10610342

IUPAC(2R)-2-phenyl-2-(phosphonomethylamino)acetic acid
SMILESO=C(O)[C@H](NCP(=O)(O)O)c1ccccc1
InChIInChI=1S/C9H12NO5P/c11-9(12)8(10-6-16(13,14)15)7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12)(H2,13,14,15)/t8-/m1/s1
InChIKeySVOYLFUQSRVNRA-MRVPVSSYSA-N
MW245.17 g/mol
LogP0.54
Rot. Bonds5

About (2R)-2-phenyl-2-(phosphonomethylamino)acetic acid

(2R)-2-phenyl-2-(phosphonomethylamino)acetic acid (PubChem CID 10610342) has the molecular formula C9H12NO5P and a molecular weight of 245.17 g/mol. Its IUPAC name is (2R)-2-phenyl-2-(phosphonomethylamino)acetic acid.

Molecular Properties

Compound Name(2R)-2-phenyl-2-(phosphonomethylamino)acetic acid
PubChem CID10610342
Molecular FormulaC9H12NO5P
Molecular Weight245.17 g/mol
Exact Mass245.05
IUPAC Name(2R)-2-phenyl-2-(phosphonomethylamino)acetic acid
SMILESO=C(O)[C@H](NCP(=O)(O)O)c1ccccc1
InChIInChI=1S/C9H12NO5P/c11-9(12)8(10-6-16(13,14)15)7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12)(H2,13,14,15)/t8-/m1/s1
InChIKeySVOYLFUQSRVNRA-MRVPVSSYSA-N
XLogP0.54
TPSA106.86 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.17
LogP ≤ 50.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-fluoroethylamino)-2-phenylacetic acid
CID 80695440
2-[5-[[carboxy(phenyl)methyl]amino]pentylamino]-2-phenylacetic acid;hydrobromide
CID 54603034
2-[7-[[carboxy(phenyl)methyl]amino]heptylamino]-2-phenylacetic acid;hydrobromide
CID 54599011
2-[(2-hydroxy-2-methylpropyl)amino]-2-phenylacetic acid
CID 62110373
2-(3,3-dimethylbutylamino)-2-phenylacetic acid
CID 62108848
(2S)-2-(2-ethylbutylamino)-2-phenylacetic acid
CID 122038582
2-(4-methoxybutylamino)-2-phenylacetic acid
CID 104648437
[(2-amino-2-phenylacetyl)amino]methylphosphonic acid
CID 15776596
2-[(2-ethylphenyl)methylamino]-2-phenylacetic acid
CID 62392789
(2R)-2-(pentylamino)-2-phenylacetic acid
CID 94357515
(2R)-2-phenyl-2-(3-phenylbutylamino)acetic acid
CID 122038049
2-(2,2-dimethylbutylamino)-2-phenylacetic acid
CID 103462757

Frequently Asked Questions

What is the IUPAC name of (2R)-2-phenyl-2-(phosphonomethylamino)acetic acid?
The IUPAC name of (2R)-2-phenyl-2-(phosphonomethylamino)acetic acid (CID 10610342) is (2R)-2-phenyl-2-(phosphonomethylamino)acetic acid.
What is the SMILES notation for (2R)-2-phenyl-2-(phosphonomethylamino)acetic acid?
The canonical SMILES for (2R)-2-phenyl-2-(phosphonomethylamino)acetic acid is O=C(O)[C@H](NCP(=O)(O)O)c1ccccc1.
What is the InChIKey of (2R)-2-phenyl-2-(phosphonomethylamino)acetic acid?
The InChIKey is SVOYLFUQSRVNRA-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H12NO5P/c11-9(12)8(10-6-16(13,14)15)7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12)(H2,13,14,15)/t8-/m1/s1.
What are the key properties of (2R)-2-phenyl-2-(phosphonomethylamino)acetic acid?
(2R)-2-phenyl-2-(phosphonomethylamino)acetic acid has a molecular weight of 245.17 g/mol, XLogP of 0.54, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-phenyl-2-(phosphonomethylamino)acetic acid is sourced from PubChem (CID 10610342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).