3-(3-aminobutanoylamino)butanoic acid

C8H16N2O3 — CID 61160048

IUPAC3-(3-aminobutanoylamino)butanoic acid
SMILESCC(N)CC(=O)NC(C)CC(=O)O
InChIInChI=1S/C8H16N2O3/c1-5(9)3-7(11)10-6(2)4-8(12)13/h5-6H,3-4,9H2,1-2H3,(H,10,11)(H,12,13)
InChIKeyFMBYZPLCTIGUNH-UHFFFAOYSA-N
MW188.23 g/mol
LogP-0.30
Rot. Bonds5

About 3-(3-aminobutanoylamino)butanoic acid

3-(3-aminobutanoylamino)butanoic acid (PubChem CID 61160048) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is 3-(3-aminobutanoylamino)butanoic acid.

Molecular Properties

Compound Name3-(3-aminobutanoylamino)butanoic acid
PubChem CID61160048
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Name3-(3-aminobutanoylamino)butanoic acid
SMILESCC(N)CC(=O)NC(C)CC(=O)O
InChIInChI=1S/C8H16N2O3/c1-5(9)3-7(11)10-6(2)4-8(12)13/h5-6H,3-4,9H2,1-2H3,(H,10,11)(H,12,13)
InChIKeyFMBYZPLCTIGUNH-UHFFFAOYSA-N
XLogP-0.30
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 5-0.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[(2S)-butan-2-yl]butanamide
CID 142118681
6-(3-aminobutanoylamino)-2-methylheptanoic acid
CID 65286233
3-amino-N-heptan-2-ylbutanamide
CID 60836862
(3S)-3-aminobutanoic acid;hydrochloride
CID 2761505
3-[[(2R)-2-aminopropanoyl]amino]butanoic acid
CID 78973363
3-amino-4-(1-carboxypropan-2-ylamino)-4-oxobutanoic acid
CID 64895941
3-[[2-(propan-2-ylamino)acetyl]amino]butanoic acid
CID 61160050
3-(3-aminobutanoylamino)-3-methylbutanoic acid
CID 64684104
(2S)-2-(3-aminobutanoylamino)-4-methylpentanoic acid
CID 56645624
(2R)-4-amino-2-(3-aminobutanoylamino)-4-oxobutanoic acid
CID 103870227
3-amino-N-(1-hydroxy-3-methylbutan-2-yl)butanamide
CID 79249380
3-(2-aminobutanoylamino)butanoic acid
CID 61159852

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminobutanoylamino)butanoic acid?
The IUPAC name of 3-(3-aminobutanoylamino)butanoic acid (CID 61160048) is 3-(3-aminobutanoylamino)butanoic acid.
What is the SMILES notation for 3-(3-aminobutanoylamino)butanoic acid?
The canonical SMILES for 3-(3-aminobutanoylamino)butanoic acid is CC(N)CC(=O)NC(C)CC(=O)O.
What is the InChIKey of 3-(3-aminobutanoylamino)butanoic acid?
The InChIKey is FMBYZPLCTIGUNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3/c1-5(9)3-7(11)10-6(2)4-8(12)13/h5-6H,3-4,9H2,1-2H3,(H,10,11)(H,12,13).
What are the key properties of 3-(3-aminobutanoylamino)butanoic acid?
3-(3-aminobutanoylamino)butanoic acid has a molecular weight of 188.23 g/mol, XLogP of -0.30, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminobutanoylamino)butanoic acid is sourced from PubChem (CID 61160048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).