(2R)-2-amino-3-aminosulfanylpropanoic acid

C3H8N2O2S — CID 102214571

IUPAC(2R)-2-amino-3-aminosulfanylpropanoic acid
SMILESNSC[C@H](N)C(=O)O
InChIInChI=1S/C3H8N2O2S/c4-2(1-8-5)3(6)7/h2H,1,4-5H2,(H,6,7)/t2-/m0/s1
InChIKeyBIZJDMCTNSRKLZ-REOHCLBHSA-N
MW136.18 g/mol
LogP-0.99
Rot. Bonds3

About (2R)-2-amino-3-aminosulfanylpropanoic acid

(2R)-2-amino-3-aminosulfanylpropanoic acid (PubChem CID 102214571) has the molecular formula C3H8N2O2S and a molecular weight of 136.18 g/mol. Its IUPAC name is (2R)-2-amino-3-aminosulfanylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-aminosulfanylpropanoic acid
PubChem CID102214571
Molecular FormulaC3H8N2O2S
Molecular Weight136.18 g/mol
Exact Mass136.03
IUPAC Name(2R)-2-amino-3-aminosulfanylpropanoic acid
SMILESNSC[C@H](N)C(=O)O
InChIInChI=1S/C3H8N2O2S/c4-2(1-8-5)3(6)7/h2H,1,4-5H2,(H,6,7)/t2-/m0/s1
InChIKeyBIZJDMCTNSRKLZ-REOHCLBHSA-N
XLogP-0.99
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.18
LogP ≤ 5-0.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-3-aminosulfanylpropanoic acid
CID 175881815
(2S)-2-amino-3-[[(2S)-2-amino-2-carboxyethyl]disulfanyl]propanoic acid;cadmium
CID 167531179
CID 87090924
CID 87090924
(2R)-2-amino-3-[[(2R)-2-amino-2-carboxyethyl]disulfanyl]propanoic acid;selane
CID 174366423
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
(2S,5S)-2,5-diaminohexanedioic acid
CID 22871875
2-amino-3-(2-amino-3-oxobutyl)sulfanylpropanoic acid
CID 21345005
2-amino-3-[(2S)-2-amino-3-oxobutyl]sulfanylpropanoic acid
CID 59034309

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-aminosulfanylpropanoic acid?
The IUPAC name of (2R)-2-amino-3-aminosulfanylpropanoic acid (CID 102214571) is (2R)-2-amino-3-aminosulfanylpropanoic acid.
What is the SMILES notation for (2R)-2-amino-3-aminosulfanylpropanoic acid?
The canonical SMILES for (2R)-2-amino-3-aminosulfanylpropanoic acid is NSC[C@H](N)C(=O)O.
What is the InChIKey of (2R)-2-amino-3-aminosulfanylpropanoic acid?
The InChIKey is BIZJDMCTNSRKLZ-REOHCLBHSA-N. The full InChI is InChI=1S/C3H8N2O2S/c4-2(1-8-5)3(6)7/h2H,1,4-5H2,(H,6,7)/t2-/m0/s1.
What are the key properties of (2R)-2-amino-3-aminosulfanylpropanoic acid?
(2R)-2-amino-3-aminosulfanylpropanoic acid has a molecular weight of 136.18 g/mol, XLogP of -0.99, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-aminosulfanylpropanoic acid is sourced from PubChem (CID 102214571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).