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

C10H23N3O3 — CID 175839028

IUPAC(2S)-2-amino-3-methylbutanamide;(2S)-2-amino-3-methylbutanoic acid
SMILESCC(C)[C@H](N)C(=O)O.CC(C)[C@H](N)C(N)=O
InChIInChI=1S/C5H12N2O.C5H11NO2/c2*1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H2,7,8);3-4H,6H2,1-2H3,(H,7,8)/t2*4-/m00/s1
InChIKeyWTFLBPWKXQVBPE-RZVRUWJTSA-N
MW233.31 g/mol
LogP-0.49
Rot. Bonds4

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

(2S)-2-amino-3-methylbutanamide;(2S)-2-amino-3-methylbutanoic acid (PubChem CID 175839028) has the molecular formula C10H23N3O3 and a molecular weight of 233.31 g/mol. Its IUPAC name is (2S)-2-amino-3-methylbutanamide;(2S)-2-amino-3-methylbutanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-methylbutanamide;(2S)-2-amino-3-methylbutanoic acid
PubChem CID175839028
Molecular FormulaC10H23N3O3
Molecular Weight233.31 g/mol
Exact Mass233.17
IUPAC Name(2S)-2-amino-3-methylbutanamide;(2S)-2-amino-3-methylbutanoic acid
SMILESCC(C)[C@H](N)C(=O)O.CC(C)[C@H](N)C(N)=O
InChIInChI=1S/C5H12N2O.C5H11NO2/c2*1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H2,7,8);3-4H,6H2,1-2H3,(H,7,8)/t2*4-/m00/s1
InChIKeyWTFLBPWKXQVBPE-RZVRUWJTSA-N
XLogP-0.49
TPSA132.43 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 5-0.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(15N)azanyl-3-methylbutanoic acid
CID 10558606
2-amino-3-methylbutanoic acid;vanadium
CID 175123177
tris((2S)-2-amino-3-methylbutanoic acid);chromium
CID 156700513
bis((2S)-2-amino-3-methylbutanoic acid);sulfane
CID 87598201
silver 2-amino-3-methylbutanoic acid
CID 19021116
2-amino-3-methylbutanoic acid;zinc;dihydrate
CID 175445851
magnesium;(2S)-2-amino-3-methylbutanoic acid;dichloride
CID 159678853
(2S)-2-amino-3-methylbutanoic acid;2-aminoprop-2-enoic acid
CID 87398128
(2S)-2-amino-3-methylbutanoic acid;silyloxysilane
CID 173116914
(2S)-2-amino-3-methylbutanoic acid;carbonyl dichloride
CID 87642721
(2S)-2-amino-3-methylbutanoic acid;benzene;chloromethane
CID 159269253
(2S)-2-amino-3-methylbutanoic acid;formic acid
CID 160949818

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methylbutanamide;(2S)-2-amino-3-methylbutanoic acid?
The IUPAC name of (2S)-2-amino-3-methylbutanamide;(2S)-2-amino-3-methylbutanoic acid (CID 175839028) is (2S)-2-amino-3-methylbutanamide;(2S)-2-amino-3-methylbutanoic acid.
What is the SMILES notation for (2S)-2-amino-3-methylbutanamide;(2S)-2-amino-3-methylbutanoic acid?
The canonical SMILES for (2S)-2-amino-3-methylbutanamide;(2S)-2-amino-3-methylbutanoic acid is CC(C)[C@H](N)C(=O)O.CC(C)[C@H](N)C(N)=O.
What is the InChIKey of (2S)-2-amino-3-methylbutanamide;(2S)-2-amino-3-methylbutanoic acid?
The InChIKey is WTFLBPWKXQVBPE-RZVRUWJTSA-N. The full InChI is InChI=1S/C5H12N2O.C5H11NO2/c2*1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H2,7,8);3-4H,6H2,1-2H3,(H,7,8)/t2*4-/m00/s1.
What are the key properties of (2S)-2-amino-3-methylbutanamide;(2S)-2-amino-3-methylbutanoic acid?
(2S)-2-amino-3-methylbutanamide;(2S)-2-amino-3-methylbutanoic acid has a molecular weight of 233.31 g/mol, XLogP of -0.49, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-methylbutanamide;(2S)-2-amino-3-methylbutanoic acid is sourced from PubChem (CID 175839028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).