(2R)-3-methyl-2-(sulfanylamino)butanoic acid

C5H11NO2S — CID 23616076

IUPAC(2R)-3-methyl-2-(sulfanylamino)butanoic acid
SMILESCC(C)[C@@H](NS)C(=O)O
InChIInChI=1S/C5H11NO2S/c1-3(2)4(6-9)5(7)8/h3-4,6,9H,1-2H3,(H,7,8)/t4-/m1/s1
InChIKeyDVQCNGKZAMNXCR-SCSAIBSYSA-N
MW149.21 g/mol
LogP0.53
Rot. Bonds3

About (2R)-3-methyl-2-(sulfanylamino)butanoic acid

(2R)-3-methyl-2-(sulfanylamino)butanoic acid (PubChem CID 23616076) has the molecular formula C5H11NO2S and a molecular weight of 149.21 g/mol. Its IUPAC name is (2R)-3-methyl-2-(sulfanylamino)butanoic acid.

Molecular Properties

Compound Name(2R)-3-methyl-2-(sulfanylamino)butanoic acid
PubChem CID23616076
Molecular FormulaC5H11NO2S
Molecular Weight149.21 g/mol
Exact Mass149.05
IUPAC Name(2R)-3-methyl-2-(sulfanylamino)butanoic acid
SMILESCC(C)[C@@H](NS)C(=O)O
InChIInChI=1S/C5H11NO2S/c1-3(2)4(6-9)5(7)8/h3-4,6,9H,1-2H3,(H,7,8)/t4-/m1/s1
InChIKeyDVQCNGKZAMNXCR-SCSAIBSYSA-N
XLogP0.53
TPSA49.33 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.21
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

L-Leucine
CID 6106
L-Isoleucine
CID 6306
L-Valine
CID 6287
Penicillamine
CID 5852
Alloisoleucine, DL-
CID 99288
D-Leucine
CID 439524
(-)-2-Aminobutyric acid
CID 80283
2-Amino-3-methylpentanoic acid
CID 791
DL-valine
CID 1182
(+-)-Penicillamine
CID 4727
D-Alpha-aminobutyric acid
CID 439691
D-Valine
CID 71563

Frequently Asked Questions

What is the IUPAC name of (2R)-3-methyl-2-(sulfanylamino)butanoic acid?
The IUPAC name of (2R)-3-methyl-2-(sulfanylamino)butanoic acid (CID 23616076) is (2R)-3-methyl-2-(sulfanylamino)butanoic acid.
What is the SMILES notation for (2R)-3-methyl-2-(sulfanylamino)butanoic acid?
The canonical SMILES for (2R)-3-methyl-2-(sulfanylamino)butanoic acid is CC(C)[C@@H](NS)C(=O)O.
What is the InChIKey of (2R)-3-methyl-2-(sulfanylamino)butanoic acid?
The InChIKey is DVQCNGKZAMNXCR-SCSAIBSYSA-N. The full InChI is InChI=1S/C5H11NO2S/c1-3(2)4(6-9)5(7)8/h3-4,6,9H,1-2H3,(H,7,8)/t4-/m1/s1.
What are the key properties of (2R)-3-methyl-2-(sulfanylamino)butanoic acid?
(2R)-3-methyl-2-(sulfanylamino)butanoic acid has a molecular weight of 149.21 g/mol, XLogP of 0.53, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-methyl-2-(sulfanylamino)butanoic acid is sourced from PubChem (CID 23616076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).