3-(2-aminobutanoylamino)butanoic acid

C8H16N2O3 — CID 61159852

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

About 3-(2-aminobutanoylamino)butanoic acid

3-(2-aminobutanoylamino)butanoic acid (PubChem CID 61159852) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is 3-(2-aminobutanoylamino)butanoic acid.

Molecular Properties

Compound Name3-(2-aminobutanoylamino)butanoic acid
PubChem CID61159852
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Name3-(2-aminobutanoylamino)butanoic acid
SMILESCCC(N)C(=O)NC(C)CC(=O)O
InChIInChI=1S/C8H16N2O3/c1-3-6(9)8(13)10-5(2)4-7(11)12/h5-6H,3-4,9H2,1-2H3,(H,10,13)(H,11,12)
InChIKeyASSAPGRXOUPLGT-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-4-(1-carboxypropan-2-ylamino)-4-oxobutanoic acid
CID 64895941
(2R)-2-amino-N-[(2R)-1-aminopropan-2-yl]butanamide
CID 131206927
3-[[(2R)-2-aminopropanoyl]amino]butanoic acid
CID 78973363
3-[(2-amino-3-methylpentanoyl)amino]butanoic acid
CID 61161973
(2R)-2-amino-N-(4-hydroxybutan-2-yl)butanamide
CID 83177321
(2S)-2-amino-N-(4-methylpentan-2-yl)butanamide
CID 79025012
(2S)-2-amino-N-hexan-2-ylbutanamide
CID 79023466
(2R)-2-amino-N-[1-(dimethylamino)propan-2-yl]butanamide
CID 82945905
2-amino-N-octan-2-ylbutanamide
CID 43711439
2-amino-N-(1,3-dihydroxypropan-2-yl)butanamide
CID 65314270
3-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]butanoic acid
CID 61161578
2-amino-N-(4-ethylsulfanylbutan-2-yl)butanamide
CID 115734470

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminobutanoylamino)butanoic acid?
The IUPAC name of 3-(2-aminobutanoylamino)butanoic acid (CID 61159852) is 3-(2-aminobutanoylamino)butanoic acid.
What is the SMILES notation for 3-(2-aminobutanoylamino)butanoic acid?
The canonical SMILES for 3-(2-aminobutanoylamino)butanoic acid is CCC(N)C(=O)NC(C)CC(=O)O.
What is the InChIKey of 3-(2-aminobutanoylamino)butanoic acid?
The InChIKey is ASSAPGRXOUPLGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3/c1-3-6(9)8(13)10-5(2)4-7(11)12/h5-6H,3-4,9H2,1-2H3,(H,10,13)(H,11,12).
What are the key properties of 3-(2-aminobutanoylamino)butanoic acid?
3-(2-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-(2-aminobutanoylamino)butanoic acid is sourced from PubChem (CID 61159852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).