2-methyl-6-(propan-2-ylamino)heptanoic acid

C11H23NO2 — CID 65288979

IUPAC2-methyl-6-(propan-2-ylamino)heptanoic acid
SMILESCC(C)NC(C)CCCC(C)C(=O)O
InChIInChI=1S/C11H23NO2/c1-8(2)12-10(4)7-5-6-9(3)11(13)14/h8-10,12H,5-7H2,1-4H3,(H,13,14)
InChIKeyNUAQZBUUFQHYRT-UHFFFAOYSA-N
MW201.31 g/mol
LogP2.26
Rot. Bonds7

About 2-methyl-6-(propan-2-ylamino)heptanoic acid

2-methyl-6-(propan-2-ylamino)heptanoic acid (PubChem CID 65288979) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 2-methyl-6-(propan-2-ylamino)heptanoic acid.

Molecular Properties

Compound Name2-methyl-6-(propan-2-ylamino)heptanoic acid
PubChem CID65288979
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name2-methyl-6-(propan-2-ylamino)heptanoic acid
SMILESCC(C)NC(C)CCCC(C)C(=O)O
InChIInChI=1S/C11H23NO2/c1-8(2)12-10(4)7-5-6-9(3)11(13)14/h8-10,12H,5-7H2,1-4H3,(H,13,14)
InChIKeyNUAQZBUUFQHYRT-UHFFFAOYSA-N
XLogP2.26
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-methyl-6-(propan-2-ylamino)heptanoic 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

5-(propan-2-ylamino)hexanoic acid
CID 82848277
2-methyl-6-[[1-oxo-1-(pentylamino)propan-2-yl]amino]heptanoic acid
CID 65289301
2-methyl-6-(4-methylpentylamino)heptanoic acid
CID 83157356
6-(cyclohexanecarbonylamino)-2-methylheptanoic acid
CID 65286195
6-(cyclopentylmethylamino)-2-methylheptanoic acid
CID 65289181
2-(pentan-2-ylamino)hexanoic acid
CID 103231809
6-(3-aminobutanoylamino)-2-methylheptanoic acid
CID 65286233
6-(but-2-ynoylamino)-2-methylheptanoic acid
CID 107986770
(2S,6S)-6-amino-2-methylheptanoic acid
CID 93493350
6-[[2-(azepan-1-yl)-2-oxoethyl]amino]-2-methylheptanoic acid
CID 65288885
2-methyl-6-(2-methylpropylsulfonylamino)heptanoic acid
CID 65285332
6-(3,3-dimethylbutan-2-ylcarbamoylamino)-2-methylheptanoic acid
CID 104829393

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(propan-2-ylamino)heptanoic acid?
The IUPAC name of 2-methyl-6-(propan-2-ylamino)heptanoic acid (CID 65288979) is 2-methyl-6-(propan-2-ylamino)heptanoic acid.
What is the SMILES notation for 2-methyl-6-(propan-2-ylamino)heptanoic acid?
The canonical SMILES for 2-methyl-6-(propan-2-ylamino)heptanoic acid is CC(C)NC(C)CCCC(C)C(=O)O.
What is the InChIKey of 2-methyl-6-(propan-2-ylamino)heptanoic acid?
The InChIKey is NUAQZBUUFQHYRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-8(2)12-10(4)7-5-6-9(3)11(13)14/h8-10,12H,5-7H2,1-4H3,(H,13,14).
What are the key properties of 2-methyl-6-(propan-2-ylamino)heptanoic acid?
2-methyl-6-(propan-2-ylamino)heptanoic acid has a molecular weight of 201.31 g/mol, XLogP of 2.26, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(propan-2-ylamino)heptanoic acid is sourced from PubChem (CID 65288979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).