3-[4-aminobutanoyl(ethyl)amino]butanoic acid

C10H20N2O3 — CID 62826769

IUPAC3-[4-aminobutanoyl(ethyl)amino]butanoic acid
SMILESCCN(C(=O)CCCN)C(C)CC(=O)O
InChIInChI=1S/C10H20N2O3/c1-3-12(8(2)7-10(14)15)9(13)5-4-6-11/h8H,3-7,11H2,1-2H3,(H,14,15)
InChIKeyAEVMLMSNHSZIOR-UHFFFAOYSA-N
MW216.28 g/mol
LogP0.44
Rot. Bonds7

About 3-[4-aminobutanoyl(ethyl)amino]butanoic acid

3-[4-aminobutanoyl(ethyl)amino]butanoic acid (PubChem CID 62826769) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 3-[4-aminobutanoyl(ethyl)amino]butanoic acid.

Molecular Properties

Compound Name3-[4-aminobutanoyl(ethyl)amino]butanoic acid
PubChem CID62826769
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name3-[4-aminobutanoyl(ethyl)amino]butanoic acid
SMILESCCN(C(=O)CCCN)C(C)CC(=O)O
InChIInChI=1S/C10H20N2O3/c1-3-12(8(2)7-10(14)15)9(13)5-4-6-11/h8H,3-7,11H2,1-2H3,(H,14,15)
InChIKeyAEVMLMSNHSZIOR-UHFFFAOYSA-N
XLogP0.44
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-butan-2-yl-N-ethylbutanamide
CID 43274608
3-amino-N-butan-2-yl-N-ethylpropanamide
CID 43274458
3-[2-aminopropanoyl(ethyl)amino]butanoic acid
CID 62825878
3-[(4-amino-4-phenylbutanoyl)-ethylamino]butanoic acid
CID 63323741
3-[ethyl-[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]butanoic acid
CID 112602117
3-[3-(cyclopentanecarbonylamino)propanoyl-ethylamino]butanoic acid
CID 62820694
4-amino-N-ethyl-N-methylbutanamide;hydrochloride
CID 173105098
4-amino-N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)butanamide
CID 54871197
3-[ethyl(prop-2-ynoyl)amino]butanoic acid
CID 62821571
5-[butan-2-yl(ethyl)amino]-3-methyl-5-oxopentanoic acid
CID 62965888
6-amino-N-propan-2-yl-N-propylhexanamide
CID 43269620
3-amino-N-ethyl-N-(1-ethylsulfonylpropan-2-yl)propanamide;hydrochloride
CID 119325085

Frequently Asked Questions

What is the IUPAC name of 3-[4-aminobutanoyl(ethyl)amino]butanoic acid?
The IUPAC name of 3-[4-aminobutanoyl(ethyl)amino]butanoic acid (CID 62826769) is 3-[4-aminobutanoyl(ethyl)amino]butanoic acid.
What is the SMILES notation for 3-[4-aminobutanoyl(ethyl)amino]butanoic acid?
The canonical SMILES for 3-[4-aminobutanoyl(ethyl)amino]butanoic acid is CCN(C(=O)CCCN)C(C)CC(=O)O.
What is the InChIKey of 3-[4-aminobutanoyl(ethyl)amino]butanoic acid?
The InChIKey is AEVMLMSNHSZIOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-3-12(8(2)7-10(14)15)9(13)5-4-6-11/h8H,3-7,11H2,1-2H3,(H,14,15).
What are the key properties of 3-[4-aminobutanoyl(ethyl)amino]butanoic acid?
3-[4-aminobutanoyl(ethyl)amino]butanoic acid has a molecular weight of 216.28 g/mol, XLogP of 0.44, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-aminobutanoyl(ethyl)amino]butanoic acid is sourced from PubChem (CID 62826769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).