3-hydroxy-2-(phosphanylcarbonylamino)propanoic acid

C4H8NO4P — CID 178076766

IUPAC3-hydroxy-2-(phosphanylcarbonylamino)propanoic acid
SMILESO=C(P)NC(CO)C(=O)O
InChIInChI=1S/C4H8NO4P/c6-1-2(3(7)8)5-4(9)10/h2,6H,1,10H2,(H,5,9)(H,7,8)
InChIKeyRFVHUCUMUSKAEA-UHFFFAOYSA-N
MW165.08 g/mol
LogP-0.98
Rot. Bonds3

About 3-hydroxy-2-(phosphanylcarbonylamino)propanoic acid

3-hydroxy-2-(phosphanylcarbonylamino)propanoic acid (PubChem CID 178076766) has the molecular formula C4H8NO4P and a molecular weight of 165.08 g/mol. Its IUPAC name is 3-hydroxy-2-(phosphanylcarbonylamino)propanoic acid.

Molecular Properties

Compound Name3-hydroxy-2-(phosphanylcarbonylamino)propanoic acid
PubChem CID178076766
Molecular FormulaC4H8NO4P
Molecular Weight165.08 g/mol
Exact Mass165.02
IUPAC Name3-hydroxy-2-(phosphanylcarbonylamino)propanoic acid
SMILESO=C(P)NC(CO)C(=O)O
InChIInChI=1S/C4H8NO4P/c6-1-2(3(7)8)5-4(9)10/h2,6H,1,10H2,(H,5,9)(H,7,8)
InChIKeyRFVHUCUMUSKAEA-UHFFFAOYSA-N
XLogP-0.98
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.08
LogP ≤ 5-0.98
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-[(2,2-dichloroacetyl)amino]-3-hydroxypropanoic acid
CID 44630224
2-acetamido-3-hydroxypropanoic acid;sulfane
CID 175323357
3-hydroxy-2-(propanoylamino)propanoic acid
CID 11845678
(2S)-2-[(2,2-dihydroxyacetyl)amino]-3-hydroxypropanoic acid
CID 175753352
(2S)-3-hydroxy-2-(oxamoylamino)propanoic acid
CID 171342285
(2R)-3-hydroxy-2-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]propanoic acid
CID 80756986
3-hydroxy-2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]propanoic acid
CID 82951243
(2S)-2-[bis(2-hydroxyethyl)carbamoylamino]-3-hydroxypropanoic acid
CID 61233954
(2R)-3-hydroxy-2-(pentan-3-ylcarbamoylamino)propanoic acid
CID 80750743
2-[bis(2-hydroxyethyl)carbamoylamino]-3-hydroxypropanoic acid
CID 61233586
(3S)-3-amino-4-[(1-carboxy-2-hydroxyethyl)amino]-4-oxobutanoic acid
CID 22823992
(2S)-3-hydroxy-2-(4-methylpentanoylamino)propanoic acid
CID 28778534

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-(phosphanylcarbonylamino)propanoic acid?
The IUPAC name of 3-hydroxy-2-(phosphanylcarbonylamino)propanoic acid (CID 178076766) is 3-hydroxy-2-(phosphanylcarbonylamino)propanoic acid.
What is the SMILES notation for 3-hydroxy-2-(phosphanylcarbonylamino)propanoic acid?
The canonical SMILES for 3-hydroxy-2-(phosphanylcarbonylamino)propanoic acid is O=C(P)NC(CO)C(=O)O.
What is the InChIKey of 3-hydroxy-2-(phosphanylcarbonylamino)propanoic acid?
The InChIKey is RFVHUCUMUSKAEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8NO4P/c6-1-2(3(7)8)5-4(9)10/h2,6H,1,10H2,(H,5,9)(H,7,8).
What are the key properties of 3-hydroxy-2-(phosphanylcarbonylamino)propanoic acid?
3-hydroxy-2-(phosphanylcarbonylamino)propanoic acid has a molecular weight of 165.08 g/mol, XLogP of -0.98, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-(phosphanylcarbonylamino)propanoic acid is sourced from PubChem (CID 178076766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).