(2S)-2-amino-3-methylbutanoic acid;sulfamide

C5H15N3O4S — CID 87183064

IUPAC(2S)-2-amino-3-methylbutanoic acid;sulfamide
SMILESCC(C)[C@H](N)C(=O)O.NS(N)(=O)=O
InChIInChI=1S/C5H11NO2.H4N2O2S/c1-3(2)4(6)5(7)8;1-5(2,3)4/h3-4H,6H2,1-2H3,(H,7,8);(H4,1,2,3,4)/t4-;/m0./s1
InChIKeyHFAPORGVQSZTHS-WCCKRBBISA-N
MW213.26 g/mol
LogP-1.80
Rot. Bonds2

About (2S)-2-amino-3-methylbutanoic acid;sulfamide

(2S)-2-amino-3-methylbutanoic acid;sulfamide (PubChem CID 87183064) has the molecular formula C5H15N3O4S and a molecular weight of 213.26 g/mol. Its IUPAC name is (2S)-2-amino-3-methylbutanoic acid;sulfamide.

Molecular Properties

Compound Name(2S)-2-amino-3-methylbutanoic acid;sulfamide
PubChem CID87183064
Molecular FormulaC5H15N3O4S
Molecular Weight213.26 g/mol
Exact Mass213.08
IUPAC Name(2S)-2-amino-3-methylbutanoic acid;sulfamide
SMILESCC(C)[C@H](N)C(=O)O.NS(N)(=O)=O
InChIInChI=1S/C5H11NO2.H4N2O2S/c1-3(2)4(6)5(7)8;1-5(2,3)4/h3-4H,6H2,1-2H3,(H,7,8);(H4,1,2,3,4)/t4-;/m0./s1
InChIKeyHFAPORGVQSZTHS-WCCKRBBISA-N
XLogP-1.80
TPSA149.50 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 5-1.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methylbutanoic acid;sulfamide?
The IUPAC name of (2S)-2-amino-3-methylbutanoic acid;sulfamide (CID 87183064) is (2S)-2-amino-3-methylbutanoic acid;sulfamide.
What is the SMILES notation for (2S)-2-amino-3-methylbutanoic acid;sulfamide?
The canonical SMILES for (2S)-2-amino-3-methylbutanoic acid;sulfamide is CC(C)[C@H](N)C(=O)O.NS(N)(=O)=O.
What is the InChIKey of (2S)-2-amino-3-methylbutanoic acid;sulfamide?
The InChIKey is HFAPORGVQSZTHS-WCCKRBBISA-N. The full InChI is InChI=1S/C5H11NO2.H4N2O2S/c1-3(2)4(6)5(7)8;1-5(2,3)4/h3-4H,6H2,1-2H3,(H,7,8);(H4,1,2,3,4)/t4-;/m0./s1.
What are the key properties of (2S)-2-amino-3-methylbutanoic acid;sulfamide?
(2S)-2-amino-3-methylbutanoic acid;sulfamide has a molecular weight of 213.26 g/mol, XLogP of -1.80, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-methylbutanoic acid;sulfamide is sourced from PubChem (CID 87183064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).