4-aminobutanoic acid;butanoic acid

C8H17NO4 — CID 87189909

IUPAC4-aminobutanoic acid;butanoic acid
SMILESCCCC(=O)O.NCCCC(=O)O
InChIInChI=1S/C4H9NO2.C4H8O2/c5-3-1-2-4(6)7;1-2-3-4(5)6/h1-3,5H2,(H,6,7);2-3H2,1H3,(H,5,6)
InChIKeySNVGSAASIVONFV-UHFFFAOYSA-N
MW191.23 g/mol
LogP0.68
Rot. Bonds5

About 4-aminobutanoic acid;butanoic acid

4-aminobutanoic acid;butanoic acid (PubChem CID 87189909) has the molecular formula C8H17NO4 and a molecular weight of 191.23 g/mol. Its IUPAC name is 4-aminobutanoic acid;butanoic acid.

Molecular Properties

Compound Name4-aminobutanoic acid;butanoic acid
PubChem CID87189909
Molecular FormulaC8H17NO4
Molecular Weight191.23 g/mol
Exact Mass191.12
IUPAC Name4-aminobutanoic acid;butanoic acid
SMILESCCCC(=O)O.NCCCC(=O)O
InChIInChI=1S/C4H9NO2.C4H8O2/c5-3-1-2-4(6)7;1-2-3-4(5)6/h1-3,5H2,(H,6,7);2-3H2,1H3,(H,5,6)
InChIKeySNVGSAASIVONFV-UHFFFAOYSA-N
XLogP0.68
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

Gamma-Aminobutyric Acid
CID 119
gamma-Aminobutyric acid hydrochloride
CID 210329
4-Amino-3-methylbutanoic acid
CID 3539719
4-Amino-2-methylbutanoic acid
CID 3759025
4-Amino(~2~H_6_)butanoic acid
CID 12405755
4-Amino(2,2-~2~H_2_)butanoic acid
CID 57685050
4-(~15~N)Aminobutanoic acid
CID 71310334
Butanoic acid, 4-amino-2-methyl-, (2S)-
CID 928193
(R)-4-amino-2-methylbutanoic acid
CID 928194
Butanoic acid, 4-amino-3-methyl-, (R)-
CID 6604938
(3S)-4-amino-3-methylbutanoic acid
CID 44313226
4-(2,2-Dimethylpropanoyloxyamino)butanoic acid
CID 44461915

Frequently Asked Questions

What is the IUPAC name of 4-aminobutanoic acid;butanoic acid?
The IUPAC name of 4-aminobutanoic acid;butanoic acid (CID 87189909) is 4-aminobutanoic acid;butanoic acid.
What is the SMILES notation for 4-aminobutanoic acid;butanoic acid?
The canonical SMILES for 4-aminobutanoic acid;butanoic acid is CCCC(=O)O.NCCCC(=O)O.
What is the InChIKey of 4-aminobutanoic acid;butanoic acid?
The InChIKey is SNVGSAASIVONFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO2.C4H8O2/c5-3-1-2-4(6)7;1-2-3-4(5)6/h1-3,5H2,(H,6,7);2-3H2,1H3,(H,5,6).
What are the key properties of 4-aminobutanoic acid;butanoic acid?
4-aminobutanoic acid;butanoic acid has a molecular weight of 191.23 g/mol, XLogP of 0.68, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminobutanoic acid;butanoic acid is sourced from PubChem (CID 87189909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).