4-aminobutanoic acid;(2S)-2-amino-3-methylbutanoic acid

C9H20N2O4 — CID 87497053

IUPAC4-aminobutanoic acid;(2S)-2-amino-3-methylbutanoic acid
SMILESCC(C)[C@H](N)C(=O)O.NCCCC(=O)O
InChIInChI=1S/C5H11NO2.C4H9NO2/c1-3(2)4(6)5(7)8;5-3-1-2-4(6)7/h3-4H,6H2,1-2H3,(H,7,8);1-3,5H2,(H,6,7)/t4-;/m0./s1
InChIKeyUTYIKMHPTSNKIW-WCCKRBBISA-N
MW220.27 g/mol
LogP-0.14
Rot. Bonds5

About 4-aminobutanoic acid;(2S)-2-amino-3-methylbutanoic acid

4-aminobutanoic acid;(2S)-2-amino-3-methylbutanoic acid (PubChem CID 87497053) has the molecular formula C9H20N2O4 and a molecular weight of 220.27 g/mol. Its IUPAC name is 4-aminobutanoic acid;(2S)-2-amino-3-methylbutanoic acid.

Molecular Properties

Compound Name4-aminobutanoic acid;(2S)-2-amino-3-methylbutanoic acid
PubChem CID87497053
Molecular FormulaC9H20N2O4
Molecular Weight220.27 g/mol
Exact Mass220.14
IUPAC Name4-aminobutanoic acid;(2S)-2-amino-3-methylbutanoic acid
SMILESCC(C)[C@H](N)C(=O)O.NCCCC(=O)O
InChIInChI=1S/C5H11NO2.C4H9NO2/c1-3(2)4(6)5(7)8;5-3-1-2-4(6)7/h3-4H,6H2,1-2H3,(H,7,8);1-3,5H2,(H,6,7)/t4-;/m0./s1
InChIKeyUTYIKMHPTSNKIW-WCCKRBBISA-N
XLogP-0.14
TPSA126.64 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 5-0.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-methylbutanoic acid;butanedioic acid
CID 87123130
(2S)-2-amino-3-methylbutanoic acid;butanoic acid;pentanoic acid
CID 88670976
2-aminoacetic acid;(2S)-2-amino-3-methylbutanoic acid;hydrochloride
CID 159922331
(2R)-2-(15N)azanyl-3-methylbutanoic acid
CID 10558606
2-aminoacetic acid;(2S)-2-amino-3-methylbutanoic acid;(2S)-2-aminopentanedioic acid
CID 22856238
tris((2S)-2-amino-3-methylbutanoic acid);chromium
CID 156700513
2-amino-3-methylbutanoic acid;vanadium
CID 175123177
4-aminobutanoic acid;dihydrochloride
CID 87111723
silver 2-amino-3-methylbutanoic acid
CID 19021116
bis((2S)-2-amino-3-methylbutanoic acid);sulfane
CID 87598201
2-amino-3-methylbutanoic acid;2-aminopropanoic acid;2,6-diaminohexanoic acid
CID 134498340
4-aminobutanoic acid;(2S)-2-aminopentanoic acid
CID 18598089

Frequently Asked Questions

What is the IUPAC name of 4-aminobutanoic acid;(2S)-2-amino-3-methylbutanoic acid?
The IUPAC name of 4-aminobutanoic acid;(2S)-2-amino-3-methylbutanoic acid (CID 87497053) is 4-aminobutanoic acid;(2S)-2-amino-3-methylbutanoic acid.
What is the SMILES notation for 4-aminobutanoic acid;(2S)-2-amino-3-methylbutanoic acid?
The canonical SMILES for 4-aminobutanoic acid;(2S)-2-amino-3-methylbutanoic acid is CC(C)[C@H](N)C(=O)O.NCCCC(=O)O.
What is the InChIKey of 4-aminobutanoic acid;(2S)-2-amino-3-methylbutanoic acid?
The InChIKey is UTYIKMHPTSNKIW-WCCKRBBISA-N. The full InChI is InChI=1S/C5H11NO2.C4H9NO2/c1-3(2)4(6)5(7)8;5-3-1-2-4(6)7/h3-4H,6H2,1-2H3,(H,7,8);1-3,5H2,(H,6,7)/t4-;/m0./s1.
What are the key properties of 4-aminobutanoic acid;(2S)-2-amino-3-methylbutanoic acid?
4-aminobutanoic acid;(2S)-2-amino-3-methylbutanoic acid has a molecular weight of 220.27 g/mol, XLogP of -0.14, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminobutanoic acid;(2S)-2-amino-3-methylbutanoic acid is sourced from PubChem (CID 87497053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).