2-[[hydroxy(oxolan-2-yl)phosphoryl]amino]-2-phenylacetic acid

C12H16NO5P — CID 22617676

IUPAC2-[[hydroxy(oxolan-2-yl)phosphoryl]amino]-2-phenylacetic acid
SMILESO=C(O)C(NP(=O)(O)C1CCCO1)c1ccccc1
InChIInChI=1S/C12H16NO5P/c14-12(15)11(9-5-2-1-3-6-9)13-19(16,17)10-7-4-8-18-10/h1-3,5-6,10-11H,4,7-8H2,(H,14,15)(H2,13,16,17)
InChIKeyAFHIKLMEAGJTCO-UHFFFAOYSA-N
MW285.24 g/mol
LogP1.72
Rot. Bonds5

About 2-[[hydroxy(oxolan-2-yl)phosphoryl]amino]-2-phenylacetic acid

2-[[hydroxy(oxolan-2-yl)phosphoryl]amino]-2-phenylacetic acid (PubChem CID 22617676) has the molecular formula C12H16NO5P and a molecular weight of 285.24 g/mol. Its IUPAC name is 2-[[hydroxy(oxolan-2-yl)phosphoryl]amino]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[[hydroxy(oxolan-2-yl)phosphoryl]amino]-2-phenylacetic acid
PubChem CID22617676
Molecular FormulaC12H16NO5P
Molecular Weight285.24 g/mol
Exact Mass285.08
IUPAC Name2-[[hydroxy(oxolan-2-yl)phosphoryl]amino]-2-phenylacetic acid
SMILESO=C(O)C(NP(=O)(O)C1CCCO1)c1ccccc1
InChIInChI=1S/C12H16NO5P/c14-12(15)11(9-5-2-1-3-6-9)13-19(16,17)10-7-4-8-18-10/h1-3,5-6,10-11H,4,7-8H2,(H,14,15)(H2,13,16,17)
InChIKeyAFHIKLMEAGJTCO-UHFFFAOYSA-N
XLogP1.72
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.24
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[cyclohexylmethyl(hydroxy)phosphoryl]amino]-2-phenylacetic acid
CID 18472816
(2R)-2-[[2-(oxolan-2-yl)acetyl]amino]-2-phenylacetic acid
CID 65156988
(2S)-2-[[2-(oxolan-2-yl)acetyl]amino]-2-phenylacetic acid
CID 103804697
(2S)-2-[[2-[(2S)-oxolan-2-yl]acetyl]amino]-2-phenylacetic acid
CID 124559457
(2R)-2-(oxolan-2-ylmethylsulfonylamino)-2-phenylacetic acid
CID 63247069
(1S)-1-[(2R)-oxolan-2-yl]-1-phenylpropan-2-one
CID 134925712
2-(oxolan-2-ylmethylamino)-2-phenyl-1-pyrrolidin-1-ylethanone
CID 55409532
2-[[benzyl(hydroxy)phosphoryl]amino]-3-(oxolan-2-yl)propanoic acid
CID 18472800
(2R)-2-phenyl-2-(phosphonomethylamino)acetic acid
CID 10610342
2-(1,3-dioxan-2-yl)-N-[(S)-[(2S)-oxolan-2-yl]-phenylmethyl]acetamide
CID 124625518
(2S)-2-(oxane-4-carbonylamino)-2-phenylacetic acid
CID 28778740
2-(1,4-oxazepane-4-carbonylamino)-2-phenylacetic acid
CID 62968862

Frequently Asked Questions

What is the IUPAC name of 2-[[hydroxy(oxolan-2-yl)phosphoryl]amino]-2-phenylacetic acid?
The IUPAC name of 2-[[hydroxy(oxolan-2-yl)phosphoryl]amino]-2-phenylacetic acid (CID 22617676) is 2-[[hydroxy(oxolan-2-yl)phosphoryl]amino]-2-phenylacetic acid.
What is the SMILES notation for 2-[[hydroxy(oxolan-2-yl)phosphoryl]amino]-2-phenylacetic acid?
The canonical SMILES for 2-[[hydroxy(oxolan-2-yl)phosphoryl]amino]-2-phenylacetic acid is O=C(O)C(NP(=O)(O)C1CCCO1)c1ccccc1.
What is the InChIKey of 2-[[hydroxy(oxolan-2-yl)phosphoryl]amino]-2-phenylacetic acid?
The InChIKey is AFHIKLMEAGJTCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16NO5P/c14-12(15)11(9-5-2-1-3-6-9)13-19(16,17)10-7-4-8-18-10/h1-3,5-6,10-11H,4,7-8H2,(H,14,15)(H2,13,16,17).
What are the key properties of 2-[[hydroxy(oxolan-2-yl)phosphoryl]amino]-2-phenylacetic acid?
2-[[hydroxy(oxolan-2-yl)phosphoryl]amino]-2-phenylacetic acid has a molecular weight of 285.24 g/mol, XLogP of 1.72, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[hydroxy(oxolan-2-yl)phosphoryl]amino]-2-phenylacetic acid is sourced from PubChem (CID 22617676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).