2-(cyclopropylmethylamino)-2-methyloctanoic acid

C13H25NO2 — CID 61001343

IUPAC2-(cyclopropylmethylamino)-2-methyloctanoic acid
SMILESCCCCCCC(C)(NCC1CC1)C(=O)O
InChIInChI=1S/C13H25NO2/c1-3-4-5-6-9-13(2,12(15)16)14-10-11-7-8-11/h11,14H,3-10H2,1-2H3,(H,15,16)
InChIKeyLWKMKZGLINZWFK-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.80
Rot. Bonds9

About 2-(cyclopropylmethylamino)-2-methyloctanoic acid

2-(cyclopropylmethylamino)-2-methyloctanoic acid (PubChem CID 61001343) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-2-methyloctanoic acid.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-2-methyloctanoic acid
PubChem CID61001343
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name2-(cyclopropylmethylamino)-2-methyloctanoic acid
SMILESCCCCCCC(C)(NCC1CC1)C(=O)O
InChIInChI=1S/C13H25NO2/c1-3-4-5-6-9-13(2,12(15)16)14-10-11-7-8-11/h11,14H,3-10H2,1-2H3,(H,15,16)
InChIKeyLWKMKZGLINZWFK-UHFFFAOYSA-N
XLogP2.80
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(cyclopropylmethylamino)-2-methyloctanoic 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

methyl 2-(cyclopropylmethylamino)-2-methylnonanoate
CID 54894023
2-(cyclopropylmethylamino)-2,5-dimethylhexanoic acid
CID 61001959
6-(2-cyclopropylethoxy)-2-(ethylamino)-2-methylhexanoic acid
CID 106204275
2-methyl-2-(methylamino)pentadecanoic acid
CID 90221334
2-methyl-2-(methylamino)nonanoic acid
CID 43753674
2-(2,2-dihydroxyethylamino)-2-methyltetradecanoic acid
CID 151765471
2-(cyclopropylmethylamino)-2-methylpentanamide
CID 55026560
2-(cyclopropylmethylamino)-2-methylheptanenitrile
CID 80557594
methyl 2-methyl-2-(propylamino)octanoate
CID 60796900
2-cyclopropyl-2-methyltetradecanoic acid
CID 83147793
5-[cyclopropylmethyl(ethyl)amino]-2-methyl-2-(propylamino)pentanoic acid
CID 63955670
(2R)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]heptanoic acid
CID 148575187

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-2-methyloctanoic acid?
The IUPAC name of 2-(cyclopropylmethylamino)-2-methyloctanoic acid (CID 61001343) is 2-(cyclopropylmethylamino)-2-methyloctanoic acid.
What is the SMILES notation for 2-(cyclopropylmethylamino)-2-methyloctanoic acid?
The canonical SMILES for 2-(cyclopropylmethylamino)-2-methyloctanoic acid is CCCCCCC(C)(NCC1CC1)C(=O)O.
What is the InChIKey of 2-(cyclopropylmethylamino)-2-methyloctanoic acid?
The InChIKey is LWKMKZGLINZWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-3-4-5-6-9-13(2,12(15)16)14-10-11-7-8-11/h11,14H,3-10H2,1-2H3,(H,15,16).
What are the key properties of 2-(cyclopropylmethylamino)-2-methyloctanoic acid?
2-(cyclopropylmethylamino)-2-methyloctanoic acid has a molecular weight of 227.35 g/mol, XLogP of 2.80, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-2-methyloctanoic acid is sourced from PubChem (CID 61001343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).