2-amino-3-methylbutanoate

C5H10NO2- — CID 5460778

IUPAC2-amino-3-methylbutanoate
SMILESCC(C)C(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
InChIKeyKZSNJWFQEVHDMF-UHFFFAOYSA-M
MW116.14 g/mol
LogP-1.28
Rot. Bonds2

About 2-amino-3-methylbutanoate

2-amino-3-methylbutanoate (PubChem CID 5460778) has the molecular formula C5H10NO2- and a molecular weight of 116.14 g/mol. Its IUPAC name is 2-amino-3-methylbutanoate.

Molecular Properties

Compound Name2-amino-3-methylbutanoate
PubChem CID5460778
Molecular FormulaC5H10NO2-
Molecular Weight116.14 g/mol
Exact Mass116.07
IUPAC Name2-amino-3-methylbutanoate
SMILESCC(C)C(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
InChIKeyKZSNJWFQEVHDMF-UHFFFAOYSA-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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Related Compounds

bismuth tris(2-amino-3-methylbutanoate)
CID 173224363
(2R)-2-(15N)azanyl-3-methylbutanoic acid
CID 10558606
bis((2S,3R)-2-amino-3-hydroxybutanoate);iron(2+)
CID 175941555
magnesium bis((2S,3R)-2-amino-3-hydroxybutanoate)
CID 156579837
disodium;2,3-diaminobutanedioate
CID 87704477
(2S)-2-aminopropanoate
CID 5460980
silver 2-amino-3-methylbutanoic acid
CID 19021116
bis((2S)-2-amino-3-methylbutanoic acid);sulfane
CID 87598201
2-amino-3-methylbutanoic acid;vanadium
CID 175123177
tris((2S)-2-amino-3-methylbutanoic acid);chromium
CID 156700513
bis((2S)-2-aminopropanoate);palladium(2+)
CID 86639208
potassium 2-aminopropanoate
CID 21339510

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methylbutanoate?
The IUPAC name of 2-amino-3-methylbutanoate (CID 5460778) is 2-amino-3-methylbutanoate.
What is the SMILES notation for 2-amino-3-methylbutanoate?
The canonical SMILES for 2-amino-3-methylbutanoate is CC(C)C(N)C(=O)[O-].
What is the InChIKey of 2-amino-3-methylbutanoate?
The InChIKey is KZSNJWFQEVHDMF-UHFFFAOYSA-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.
What are the key properties of 2-amino-3-methylbutanoate?
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 2-amino-3-methylbutanoate is sourced from PubChem (CID 5460778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).