(2S)-2-aminopropanoic acid;(2S)-2-amino-4-sulfanylbutanoic acid

C7H16N2O4S — CID 87099321

IUPAC(2S)-2-aminopropanoic acid;(2S)-2-amino-4-sulfanylbutanoic acid
SMILESC[C@H](N)C(=O)O.N[C@@H](CCS)C(=O)O
InChIInChI=1S/C4H9NO2S.C3H7NO2/c5-3(1-2-8)4(6)7;1-2(4)3(5)6/h3,8H,1-2,5H2,(H,6,7);2H,4H2,1H3,(H,5,6)/t3-;2-/m00/s1
InChIKeyBLNGASZQDGWSON-BHFSHLQUSA-N
MW224.28 g/mol
LogP-0.86
Rot. Bonds4

About (2S)-2-aminopropanoic acid;(2S)-2-amino-4-sulfanylbutanoic acid

(2S)-2-aminopropanoic acid;(2S)-2-amino-4-sulfanylbutanoic acid (PubChem CID 87099321) has the molecular formula C7H16N2O4S and a molecular weight of 224.28 g/mol. Its IUPAC name is (2S)-2-aminopropanoic acid;(2S)-2-amino-4-sulfanylbutanoic acid.

Molecular Properties

Compound Name(2S)-2-aminopropanoic acid;(2S)-2-amino-4-sulfanylbutanoic acid
PubChem CID87099321
Molecular FormulaC7H16N2O4S
Molecular Weight224.28 g/mol
Exact Mass224.08
IUPAC Name(2S)-2-aminopropanoic acid;(2S)-2-amino-4-sulfanylbutanoic acid
SMILESC[C@H](N)C(=O)O.N[C@@H](CCS)C(=O)O
InChIInChI=1S/C4H9NO2S.C3H7NO2/c5-3(1-2-8)4(6)7;1-2(4)3(5)6/h3,8H,1-2,5H2,(H,6,7);2H,4H2,1H3,(H,5,6)/t3-;2-/m00/s1
InChIKeyBLNGASZQDGWSON-BHFSHLQUSA-N
XLogP-0.86
TPSA126.64 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 5-0.86
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-4-sulfanylbutanoic acid
CID 87178469
2-amino-4-sulfanylbutanoic acid
CID 778
CID 173003493
CID 173003493
bis((2S)-2-amino-4-methylsulfanylbutanoic acid);(2S)-2-amino-4-sulfanylbutanoic acid
CID 88879582
(2S)-2-amino-3-methyl-3-sulfanylbutanoic acid;(2S)-2-amino-4-sulfanylbutanoic acid
CID 131699260
(2S,5S)-2,5-diaminohexanedioic acid
CID 22871875
(2R)-2-aminopropanoic acid
CID 18611140
(2S)-2-aminopropanoic acid
CID 18446182
(2S)-2-aminopropanoic acid
CID 5950
(2R)-2-amino-5-methylhexanoic acid
CID 40537121
2-amino-7-sulfanylheptanoic acid
CID 56957911
CID 175156691
CID 175156691

Frequently Asked Questions

What is the IUPAC name of (2S)-2-aminopropanoic acid;(2S)-2-amino-4-sulfanylbutanoic acid?
The IUPAC name of (2S)-2-aminopropanoic acid;(2S)-2-amino-4-sulfanylbutanoic acid (CID 87099321) is (2S)-2-aminopropanoic acid;(2S)-2-amino-4-sulfanylbutanoic acid.
What is the SMILES notation for (2S)-2-aminopropanoic acid;(2S)-2-amino-4-sulfanylbutanoic acid?
The canonical SMILES for (2S)-2-aminopropanoic acid;(2S)-2-amino-4-sulfanylbutanoic acid is C[C@H](N)C(=O)O.N[C@@H](CCS)C(=O)O.
What is the InChIKey of (2S)-2-aminopropanoic acid;(2S)-2-amino-4-sulfanylbutanoic acid?
The InChIKey is BLNGASZQDGWSON-BHFSHLQUSA-N. The full InChI is InChI=1S/C4H9NO2S.C3H7NO2/c5-3(1-2-8)4(6)7;1-2(4)3(5)6/h3,8H,1-2,5H2,(H,6,7);2H,4H2,1H3,(H,5,6)/t3-;2-/m00/s1.
What are the key properties of (2S)-2-aminopropanoic acid;(2S)-2-amino-4-sulfanylbutanoic acid?
(2S)-2-aminopropanoic acid;(2S)-2-amino-4-sulfanylbutanoic acid has a molecular weight of 224.28 g/mol, XLogP of -0.86, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-aminopropanoic acid;(2S)-2-amino-4-sulfanylbutanoic acid is sourced from PubChem (CID 87099321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).