(2S)-2-amino-3-methylbutanoate;hydron

C5H11NO2 — CID 88733505

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IUPAC(2S)-2-amino-3-methylbutanoate;hydron
SMILESCC(C)[C@H](N)C(=O)[O-].[H+]
InChIInChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m0/s1
InChIKeyKZSNJWFQEVHDMF-BYPYZUCNSA-N
MW117.15 g/mol
LogP-1.17
Rot. Bonds2

About (2S)-2-amino-3-methylbutanoate;hydron

(2S)-2-amino-3-methylbutanoate;hydron (PubChem CID 88733505) has the molecular formula C5H11NO2 and a molecular weight of 117.15 g/mol. Its IUPAC name is (2S)-2-amino-3-methylbutanoate;hydron.

Molecular Properties

Compound Name(2S)-2-amino-3-methylbutanoate;hydron
PubChem CID88733505
Molecular FormulaC5H11NO2
Molecular Weight117.15 g/mol
Exact Mass117.08
IUPAC Name(2S)-2-amino-3-methylbutanoate;hydron
SMILESCC(C)[C@H](N)C(=O)[O-].[H+]
InChIInChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m0/s1
InChIKeyKZSNJWFQEVHDMF-BYPYZUCNSA-N
XLogP-1.17
TPSA66.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.15
LogP ≤ 5-1.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

L-Valine
CID 6287
(-)-2-Aminobutyric acid
CID 80283
DL-valine
CID 1182
D-Alpha-aminobutyric acid
CID 439691
Leucine zwitterion
CID 7045798
D-Valine
CID 71563
(2S,3S)-2-ammonio-3-methylpentanoate
CID 7043901
Alpha-Aminobutyric Acid
CID 6657
(2S)-2-azaniumylbutanoate
CID 6971252
(2S)-2-ammonio-4-(methylselanyl)butanoate
CID 53262363
2-Aminoisovaleric acid
CID 6971018
(R)-2-Aminobutanoate
CID 6971251

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methylbutanoate;hydron?
The IUPAC name of (2S)-2-amino-3-methylbutanoate;hydron (CID 88733505) is (2S)-2-amino-3-methylbutanoate;hydron.
What is the SMILES notation for (2S)-2-amino-3-methylbutanoate;hydron?
The canonical SMILES for (2S)-2-amino-3-methylbutanoate;hydron is CC(C)[C@H](N)C(=O)[O-].[H+].
What is the InChIKey of (2S)-2-amino-3-methylbutanoate;hydron?
The InChIKey is KZSNJWFQEVHDMF-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m0/s1.
What are the key properties of (2S)-2-amino-3-methylbutanoate;hydron?
(2S)-2-amino-3-methylbutanoate;hydron has a molecular weight of 117.15 g/mol, XLogP of -1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-methylbutanoate;hydron is sourced from PubChem (CID 88733505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).