4-aminobutanoic acid;(2S)-2-aminopentanoic acid

C9H20N2O4 — CID 18598089

IUPAC4-aminobutanoic acid;(2S)-2-aminopentanoic acid
SMILESCCC[C@H](N)C(=O)O.NCCCC(=O)O
InChIInChI=1S/C5H11NO2.C4H9NO2/c1-2-3-4(6)5(7)8;5-3-1-2-4(6)7/h4H,2-3,6H2,1H3,(H,7,8);1-3,5H2,(H,6,7)/t4-;/m0./s1
InChIKeySTAXICFLDRGLKB-WCCKRBBISA-N
MW220.27 g/mol
LogP0.01
Rot. Bonds6

About 4-aminobutanoic acid;(2S)-2-aminopentanoic acid

4-aminobutanoic acid;(2S)-2-aminopentanoic acid (PubChem CID 18598089) has the molecular formula C9H20N2O4 and a molecular weight of 220.27 g/mol. Its IUPAC name is 4-aminobutanoic acid;(2S)-2-aminopentanoic acid.

Molecular Properties

Compound Name4-aminobutanoic acid;(2S)-2-aminopentanoic acid
PubChem CID18598089
Molecular FormulaC9H20N2O4
Molecular Weight220.27 g/mol
Exact Mass220.14
IUPAC Name4-aminobutanoic acid;(2S)-2-aminopentanoic acid
SMILESCCC[C@H](N)C(=O)O.NCCCC(=O)O
InChIInChI=1S/C5H11NO2.C4H9NO2/c1-2-3-4(6)5(7)8;5-3-1-2-4(6)7/h4H,2-3,6H2,1H3,(H,7,8);1-3,5H2,(H,6,7)/t4-;/m0./s1
InChIKeySTAXICFLDRGLKB-WCCKRBBISA-N
XLogP0.01
TPSA126.64 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 50.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-aminopentanoic acid;pentanoic acid
CID 158644900
bis(4-aminobutanoic acid);2,6-diaminohexanoic acid
CID 174697274
2-aminopentanoic acid;(2S)-2,6-diaminohexanoic acid
CID 121439677
decanoic acid;(2S)-2,6-diaminohexanoic acid
CID 87982832
(2R)-2-(15N)azanyl(313C)pentanoic acid
CID 157463358
(2R)-2-amino(311C)pentanoic acid
CID 55291456
bis(butanedioic acid);2,6-diaminohexanoic acid
CID 87800370
2-aminopentanedioic acid;2,5-diaminopentanoic acid
CID 22007993
(2S)-2-aminohexanoic acid;(2R)-2-aminopentanoic acid
CID 158530553
2-aminopentanedioic acid;dodecanoic acid
CID 175003829
2-aminohexanoic acid;2,6-diaminohexanoic acid
CID 22006143
(2S)-2-aminohexanoic acid;(2S)-2-aminopentanedioic acid
CID 87638695

Frequently Asked Questions

What is the IUPAC name of 4-aminobutanoic acid;(2S)-2-aminopentanoic acid?
The IUPAC name of 4-aminobutanoic acid;(2S)-2-aminopentanoic acid (CID 18598089) is 4-aminobutanoic acid;(2S)-2-aminopentanoic acid.
What is the SMILES notation for 4-aminobutanoic acid;(2S)-2-aminopentanoic acid?
The canonical SMILES for 4-aminobutanoic acid;(2S)-2-aminopentanoic acid is CCC[C@H](N)C(=O)O.NCCCC(=O)O.
What is the InChIKey of 4-aminobutanoic acid;(2S)-2-aminopentanoic acid?
The InChIKey is STAXICFLDRGLKB-WCCKRBBISA-N. The full InChI is InChI=1S/C5H11NO2.C4H9NO2/c1-2-3-4(6)5(7)8;5-3-1-2-4(6)7/h4H,2-3,6H2,1H3,(H,7,8);1-3,5H2,(H,6,7)/t4-;/m0./s1.
What are the key properties of 4-aminobutanoic acid;(2S)-2-aminopentanoic acid?
4-aminobutanoic acid;(2S)-2-aminopentanoic acid has a molecular weight of 220.27 g/mol, XLogP of 0.01, 6 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-aminopentanoic acid is sourced from PubChem (CID 18598089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).