2-amino-3-phosphonosulfanylpropanoic acid

C3H8NO5PS — CID 4628124

IUPAC2-amino-3-phosphonosulfanylpropanoic acid
SMILESNC(CSP(=O)(O)O)C(=O)O
InChIInChI=1S/C3H8NO5PS/c4-2(3(5)6)1-11-10(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)
InChIKeyMNEMQJJMDDZXRO-UHFFFAOYSA-N
MW201.14 g/mol
LogP-0.78
Rot. Bonds4

About 2-amino-3-phosphonosulfanylpropanoic acid

2-amino-3-phosphonosulfanylpropanoic acid (PubChem CID 4628124) has the molecular formula C3H8NO5PS and a molecular weight of 201.14 g/mol. Its IUPAC name is 2-amino-3-phosphonosulfanylpropanoic acid.

Molecular Properties

Compound Name2-amino-3-phosphonosulfanylpropanoic acid
PubChem CID4628124
Molecular FormulaC3H8NO5PS
Molecular Weight201.14 g/mol
Exact Mass200.99
IUPAC Name2-amino-3-phosphonosulfanylpropanoic acid
SMILESNC(CSP(=O)(O)O)C(=O)O
InChIInChI=1S/C3H8NO5PS/c4-2(3(5)6)1-11-10(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)
InChIKeyMNEMQJJMDDZXRO-UHFFFAOYSA-N
XLogP-0.78
TPSA120.85 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.14
LogP ≤ 5-0.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-amino-3-aminosulfanylpropanoic acid
CID 102214571
(2S)-2-amino-3-[[(2S)-2-amino-2-carboxyethyl]disulfanyl]propanoic acid;cadmium
CID 167531179
(2S)-2-amino-3-aminosulfanylpropanoic acid
CID 175881815
CID 87090924
CID 87090924
(2R)-2-amino-3-[[(2R)-2-amino-2-carboxyethyl]disulfanyl]propanoic acid;selane
CID 174366423
2-amino-3-hydroxypropanoic acid;aminophosphonic acid
CID 118456390
2-amino-5-[[1-(carboxymethylamino)-1-oxo-3-phosphonosulfanylpropan-2-yl]amino]-5-oxopentanoic acid
CID 14368898
disodium;(2R)-2-amino-3-[[(2R)-2-amino-2-carboxyethyl]disulfanyl]propanoic acid;hydride
CID 173044539
CID 122387822
CID 122387822
2-amino-3-[(2-amino-2-carboxyethyl)disulfanyl]propanoic acid;hydrate;dihydrochloride
CID 175225773
dilithium;2-amino-3-[(2-amino-2-carboxyethyl)disulfanyl]propanoic acid;hydride
CID 173165305
(2R)-2-amino-3-[[(2R)-2-amino-2-carboxyethyl]disulfanyl]propanoic acid;hydrate;hydrochloride
CID 57364743

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-phosphonosulfanylpropanoic acid?
The IUPAC name of 2-amino-3-phosphonosulfanylpropanoic acid (CID 4628124) is 2-amino-3-phosphonosulfanylpropanoic acid.
What is the SMILES notation for 2-amino-3-phosphonosulfanylpropanoic acid?
The canonical SMILES for 2-amino-3-phosphonosulfanylpropanoic acid is NC(CSP(=O)(O)O)C(=O)O.
What is the InChIKey of 2-amino-3-phosphonosulfanylpropanoic acid?
The InChIKey is MNEMQJJMDDZXRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8NO5PS/c4-2(3(5)6)1-11-10(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9).
What are the key properties of 2-amino-3-phosphonosulfanylpropanoic acid?
2-amino-3-phosphonosulfanylpropanoic acid has a molecular weight of 201.14 g/mol, XLogP of -0.78, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-phosphonosulfanylpropanoic acid is sourced from PubChem (CID 4628124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).