(2S)-2-[[ethoxy(hydroxy)phosphoryl]amino]propanoic acid

C5H12NO5P — CID 159867621

IUPAC(2S)-2-[[ethoxy(hydroxy)phosphoryl]amino]propanoic acid
SMILESCCOP(=O)(O)N[C@@H](C)C(=O)O
InChIInChI=1S/C5H12NO5P/c1-3-11-12(9,10)6-4(2)5(7)8/h4H,3H2,1-2H3,(H,7,8)(H2,6,9,10)/t4-/m0/s1
InChIKeySGOJVFAKIKECAB-BYPYZUCNSA-N
MW197.13 g/mol
LogP0.19
Rot. Bonds5

About (2S)-2-[[ethoxy(hydroxy)phosphoryl]amino]propanoic acid

(2S)-2-[[ethoxy(hydroxy)phosphoryl]amino]propanoic acid (PubChem CID 159867621) has the molecular formula C5H12NO5P and a molecular weight of 197.13 g/mol. Its IUPAC name is (2S)-2-[[ethoxy(hydroxy)phosphoryl]amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[[ethoxy(hydroxy)phosphoryl]amino]propanoic acid
PubChem CID159867621
Molecular FormulaC5H12NO5P
Molecular Weight197.13 g/mol
Exact Mass197.05
IUPAC Name(2S)-2-[[ethoxy(hydroxy)phosphoryl]amino]propanoic acid
SMILESCCOP(=O)(O)N[C@@H](C)C(=O)O
InChIInChI=1S/C5H12NO5P/c1-3-11-12(9,10)6-4(2)5(7)8/h4H,3H2,1-2H3,(H,7,8)(H2,6,9,10)/t4-/m0/s1
InChIKeySGOJVFAKIKECAB-BYPYZUCNSA-N
XLogP0.19
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.13
LogP ≤ 50.19
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

(2R)-2-[[ethoxy(hydroxy)phosphoryl]amino]propanoic acid;tungsten
CID 170514941
(2S)-2-(dibutoxyphosphorylamino)propanoic acid
CID 71351909
(2S,3S)-2-(diethoxyphosphorylamino)-3-methylpentanoic acid
CID 119083769
ethoxy-N-methylphosphonamidic acid
CID 20842965
2-[ethoxy(methyl)phosphoryl]propanoic acid
CID 87306109
2-[[methoxy(methyl)phosphoryl]amino]propanoic acid
CID 123444426
N-[(2S)-1-ethoxy-1-oxopropan-2-yl]-phenoxyphosphonamidic acid
CID 141478072
(E)-but-2-enedioic acid;ethyl (2S)-2-[[2-aminoethylsulfanyl(ethoxy)phosphoryl]amino]propanoate
CID 175908952
4-amino-1-methylpyrimidin-2-one;2-[[hydroxy(2-methoxybutoxy)phosphoryl]amino]propanoic acid
CID 143708484
butoxy-N-propan-2-ylphosphonamidic acid
CID 146414796
(2S)-2-[[ethoxy(phenyl)phosphoryl]amino]-3-methylbutanoic acid
CID 71426419
2,5-bis(diethoxyphosphoryl)hexanedioic acid
CID 54116909

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[ethoxy(hydroxy)phosphoryl]amino]propanoic acid?
The IUPAC name of (2S)-2-[[ethoxy(hydroxy)phosphoryl]amino]propanoic acid (CID 159867621) is (2S)-2-[[ethoxy(hydroxy)phosphoryl]amino]propanoic acid.
What is the SMILES notation for (2S)-2-[[ethoxy(hydroxy)phosphoryl]amino]propanoic acid?
The canonical SMILES for (2S)-2-[[ethoxy(hydroxy)phosphoryl]amino]propanoic acid is CCOP(=O)(O)N[C@@H](C)C(=O)O.
What is the InChIKey of (2S)-2-[[ethoxy(hydroxy)phosphoryl]amino]propanoic acid?
The InChIKey is SGOJVFAKIKECAB-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H12NO5P/c1-3-11-12(9,10)6-4(2)5(7)8/h4H,3H2,1-2H3,(H,7,8)(H2,6,9,10)/t4-/m0/s1.
What are the key properties of (2S)-2-[[ethoxy(hydroxy)phosphoryl]amino]propanoic acid?
(2S)-2-[[ethoxy(hydroxy)phosphoryl]amino]propanoic acid has a molecular weight of 197.13 g/mol, XLogP of 0.19, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[ethoxy(hydroxy)phosphoryl]amino]propanoic acid is sourced from PubChem (CID 159867621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).