(2R)-2-(phosphonoamino)-3-sulfanylpropanoic acid

C3H8NO5PS — CID 54499104

IUPAC(2R)-2-(phosphonoamino)-3-sulfanylpropanoic acid
SMILESO=C(O)[C@H](CS)NP(=O)(O)O
InChIInChI=1S/C3H8NO5PS/c5-3(6)2(1-11)4-10(7,8)9/h2,11H,1H2,(H,5,6)(H3,4,7,8,9)/t2-/m0/s1
InChIKeyYBEPDTOTOCUWHF-REOHCLBHSA-N
MW201.14 g/mol
LogP-0.95
Rot. Bonds4

About (2R)-2-(phosphonoamino)-3-sulfanylpropanoic acid

(2R)-2-(phosphonoamino)-3-sulfanylpropanoic acid (PubChem CID 54499104) has the molecular formula C3H8NO5PS and a molecular weight of 201.14 g/mol. Its IUPAC name is (2R)-2-(phosphonoamino)-3-sulfanylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-(phosphonoamino)-3-sulfanylpropanoic acid
PubChem CID54499104
Molecular FormulaC3H8NO5PS
Molecular Weight201.14 g/mol
Exact Mass200.99
IUPAC Name(2R)-2-(phosphonoamino)-3-sulfanylpropanoic acid
SMILESO=C(O)[C@H](CS)NP(=O)(O)O
InChIInChI=1S/C3H8NO5PS/c5-3(6)2(1-11)4-10(7,8)9/h2,11H,1H2,(H,5,6)(H3,4,7,8,9)/t2-/m0/s1
InChIKeyYBEPDTOTOCUWHF-REOHCLBHSA-N
XLogP-0.95
TPSA106.86 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.14
LogP ≤ 5-0.95
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-(phosphonomethylamino)-3-sulfanylpropanoic acid;sulfuric acid
CID 87618119
(2S)-4-methylsulfanyl-2-(phosphonoamino)butanoic acid
CID 140728377
(2R)-2-(silylamino)-3-sulfanylpropanoic acid
CID 175735722
(2R)-2-(iodoamino)-3-sulfanylpropanoic acid
CID 142742192
(2R)-2-[(2-hydroxyacetyl)amino]-3-sulfanylpropanoic acid
CID 87097577
(2R)-2-[[[(1R)-1-carboxy-2-sulfanylethyl]amino]oxyamino]-3-sulfanylpropanoic acid
CID 166514845
(2R)-2-(boronoamino)-3-sulfanylpropanoic acid
CID 140750018
2-[[(1-carboxy-2-sulfanylethyl)amino]methyl]propanedioic acid
CID 87237898
(2S)-2-(2-oxohydrazinyl)-3-sulfanylpropanoic acid
CID 21157216
(2S)-2-acetamido-3-sulfanylpropanoic acid;bis((2R)-2-acetamido-3-sulfanylpropanoic acid)
CID 87596071
2-(2-diazohydrazinyl)-3-sulfanylpropanoic acid
CID 134588885
(2S)-2-[2-[(1R)-1-carboxy-2-sulfanylethyl]hydrazinyl]-4-sulfanylbutanoic acid
CID 175742522

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(phosphonoamino)-3-sulfanylpropanoic acid?
The IUPAC name of (2R)-2-(phosphonoamino)-3-sulfanylpropanoic acid (CID 54499104) is (2R)-2-(phosphonoamino)-3-sulfanylpropanoic acid.
What is the SMILES notation for (2R)-2-(phosphonoamino)-3-sulfanylpropanoic acid?
The canonical SMILES for (2R)-2-(phosphonoamino)-3-sulfanylpropanoic acid is O=C(O)[C@H](CS)NP(=O)(O)O.
What is the InChIKey of (2R)-2-(phosphonoamino)-3-sulfanylpropanoic acid?
The InChIKey is YBEPDTOTOCUWHF-REOHCLBHSA-N. The full InChI is InChI=1S/C3H8NO5PS/c5-3(6)2(1-11)4-10(7,8)9/h2,11H,1H2,(H,5,6)(H3,4,7,8,9)/t2-/m0/s1.
What are the key properties of (2R)-2-(phosphonoamino)-3-sulfanylpropanoic acid?
(2R)-2-(phosphonoamino)-3-sulfanylpropanoic acid has a molecular weight of 201.14 g/mol, XLogP of -0.95, 4 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(phosphonoamino)-3-sulfanylpropanoic acid is sourced from PubChem (CID 54499104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).