6-(3-aminobutanoylamino)-2-methylheptanoic acid

C12H24N2O3 — CID 65286233

IUPAC6-(3-aminobutanoylamino)-2-methylheptanoic acid
SMILESCC(N)CC(=O)NC(C)CCCC(C)C(=O)O
InChIInChI=1S/C12H24N2O3/c1-8(12(16)17)5-4-6-10(3)14-11(15)7-9(2)13/h8-10H,4-7,13H2,1-3H3,(H,14,15)(H,16,17)
InChIKeyOIEQXTGXCCLPDI-UHFFFAOYSA-N
MW244.33 g/mol
LogP1.12
Rot. Bonds8

About 6-(3-aminobutanoylamino)-2-methylheptanoic acid

6-(3-aminobutanoylamino)-2-methylheptanoic acid (PubChem CID 65286233) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 6-(3-aminobutanoylamino)-2-methylheptanoic acid.

Molecular Properties

Compound Name6-(3-aminobutanoylamino)-2-methylheptanoic acid
PubChem CID65286233
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name6-(3-aminobutanoylamino)-2-methylheptanoic acid
SMILESCC(N)CC(=O)NC(C)CCCC(C)C(=O)O
InChIInChI=1S/C12H24N2O3/c1-8(12(16)17)5-4-6-10(3)14-11(15)7-9(2)13/h8-10H,4-7,13H2,1-3H3,(H,14,15)(H,16,17)
InChIKeyOIEQXTGXCCLPDI-UHFFFAOYSA-N
XLogP1.12
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 6-(3-aminobutanoylamino)-2-methylheptanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[(4-amino-3-methylbutanoyl)amino]-2-methylheptanoic acid
CID 81080313
3-amino-N-heptan-2-ylbutanamide
CID 60836862
3-(3-aminobutanoylamino)butanoic acid
CID 61160048
(2S,6S)-6-amino-2-methylheptanoic acid
CID 93493350
6-(5-aminopentanoylamino)-2-methylheptanoic acid
CID 65286275
6-[(4-amino-4-methylpentanoyl)amino]-2-methylheptanoic acid
CID 65286229
3-amino-N-[(2S)-butan-2-yl]butanamide
CID 142118681
6-[3-(ethylamino)propanoylamino]-2-methylheptanoic acid
CID 65286188
2-methyl-6-(propan-2-ylamino)heptanoic acid
CID 65288979
(2S)-2-(3-aminobutanoylamino)-4-methylpentanoic acid
CID 56645624
(2R)-4-amino-2-(3-aminobutanoylamino)-4-oxobutanoic acid
CID 103870227
2-methyl-6-[[2-(prop-2-ynylamino)acetyl]amino]heptanoic acid
CID 79271455

Frequently Asked Questions

What is the IUPAC name of 6-(3-aminobutanoylamino)-2-methylheptanoic acid?
The IUPAC name of 6-(3-aminobutanoylamino)-2-methylheptanoic acid (CID 65286233) is 6-(3-aminobutanoylamino)-2-methylheptanoic acid.
What is the SMILES notation for 6-(3-aminobutanoylamino)-2-methylheptanoic acid?
The canonical SMILES for 6-(3-aminobutanoylamino)-2-methylheptanoic acid is CC(N)CC(=O)NC(C)CCCC(C)C(=O)O.
What is the InChIKey of 6-(3-aminobutanoylamino)-2-methylheptanoic acid?
The InChIKey is OIEQXTGXCCLPDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-8(12(16)17)5-4-6-10(3)14-11(15)7-9(2)13/h8-10H,4-7,13H2,1-3H3,(H,14,15)(H,16,17).
What are the key properties of 6-(3-aminobutanoylamino)-2-methylheptanoic acid?
6-(3-aminobutanoylamino)-2-methylheptanoic acid has a molecular weight of 244.33 g/mol, XLogP of 1.12, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminobutanoylamino)-2-methylheptanoic acid is sourced from PubChem (CID 65286233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).