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

C5H10NO2- — CID 5460783

IUPAC(2S)-2-amino-3-methylbutanoate
SMILESCC(C)[C@H](N)C(=O)[O-]
InChIInChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/p-1/t4-/m0/s1
InChIKeyKZSNJWFQEVHDMF-BYPYZUCNSA-M
MW116.14 g/mol
LogP-1.28
Rot. Bonds2

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

(2S)-2-amino-3-methylbutanoate (PubChem CID 5460783) has the molecular formula C5H10NO2- and a molecular weight of 116.14 g/mol. Its IUPAC name is (2S)-2-amino-3-methylbutanoate.

Molecular Properties

Compound Name(2S)-2-amino-3-methylbutanoate
PubChem CID5460783
Molecular FormulaC5H10NO2-
Molecular Weight116.14 g/mol
Exact Mass116.07
IUPAC Name(2S)-2-amino-3-methylbutanoate
SMILESCC(C)[C@H](N)C(=O)[O-]
InChIInChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/p-1/t4-/m0/s1
InChIKeyKZSNJWFQEVHDMF-BYPYZUCNSA-M
XLogP-1.28
TPSA66.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.14
LogP ≤ 5-1.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methylbutanoate?
The IUPAC name of (2S)-2-amino-3-methylbutanoate (CID 5460783) is (2S)-2-amino-3-methylbutanoate.
What is the SMILES notation for (2S)-2-amino-3-methylbutanoate?
The canonical SMILES for (2S)-2-amino-3-methylbutanoate is CC(C)[C@H](N)C(=O)[O-].
What is the InChIKey of (2S)-2-amino-3-methylbutanoate?
The InChIKey is KZSNJWFQEVHDMF-BYPYZUCNSA-M. The full InChI is InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/p-1/t4-/m0/s1.
What are the key properties of (2S)-2-amino-3-methylbutanoate?
(2S)-2-amino-3-methylbutanoate has a molecular weight of 116.14 g/mol, XLogP of -1.28, 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 is sourced from PubChem (CID 5460783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).