3-methoxy-2-methyl-2-[(2-methylcyclohexyl)methylamino]propanoic acid

C13H25NO3 — CID 115002435

IUPAC3-methoxy-2-methyl-2-[(2-methylcyclohexyl)methylamino]propanoic acid
SMILESCOCC(C)(NCC1CCCCC1C)C(=O)O
InChIInChI=1S/C13H25NO3/c1-10-6-4-5-7-11(10)8-14-13(2,9-17-3)12(15)16/h10-11,14H,4-9H2,1-3H3,(H,15,16)
InChIKeyBFZJHOBTFBNMRP-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.89
Rot. Bonds6

About 3-methoxy-2-methyl-2-[(2-methylcyclohexyl)methylamino]propanoic acid

3-methoxy-2-methyl-2-[(2-methylcyclohexyl)methylamino]propanoic acid (PubChem CID 115002435) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 3-methoxy-2-methyl-2-[(2-methylcyclohexyl)methylamino]propanoic acid.

Molecular Properties

Compound Name3-methoxy-2-methyl-2-[(2-methylcyclohexyl)methylamino]propanoic acid
PubChem CID115002435
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Name3-methoxy-2-methyl-2-[(2-methylcyclohexyl)methylamino]propanoic acid
SMILESCOCC(C)(NCC1CCCCC1C)C(=O)O
InChIInChI=1S/C13H25NO3/c1-10-6-4-5-7-11(10)8-14-13(2,9-17-3)12(15)16/h10-11,14H,4-9H2,1-3H3,(H,15,16)
InChIKeyBFZJHOBTFBNMRP-UHFFFAOYSA-N
XLogP1.89
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-methoxy-2-methyl-2-[(2-methylcyclohexyl)methylamino]propanoic 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

(2S)-3-hydroxy-2-[(3-methyl-2-propan-2-ylcyclohexyl)amino]propanoic acid
CID 54531787
2-(Cyclohexylmethylamino)-3-hydroxypropanoic acid
CID 68512413
(2R)-2-(cyclohexylmethylamino)-3-hydroxypropanoic acid
CID 69117048
2-(2-Cyclohexylethylamino)-3-hydroxypropanoic acid
CID 69117336
(2S)-2-(cyclohexylmethylamino)-3-hydroxypropanoic acid
CID 69117448
(2S)-2-(2-cyclohexylethylamino)-3-hydroxypropanoic acid
CID 69117552
methyl (2S)-3-hydroxy-2-[(1-propylcyclopentyl)amino]propanoate
CID 70460776
methyl (2R)-2-(cyclohexylmethylamino)-3-hydroxypropanoate
CID 82674748
methyl (2R)-3-hydroxy-2-(6-methyldodecan-6-ylamino)propanoate
CID 129214386
methyl (2S)-3-hydroxy-2-(6-methyldodecan-6-ylamino)propanoate
CID 132059507
2-[(1,2-Dimethylcyclohexyl)amino]propanoic acid
CID 133630192
(2S)-2-[[cyclohexyl(deuterio)methyl]amino]-3-hydroxypropanoic acid
CID 141155895

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-methyl-2-[(2-methylcyclohexyl)methylamino]propanoic acid?
The IUPAC name of 3-methoxy-2-methyl-2-[(2-methylcyclohexyl)methylamino]propanoic acid (CID 115002435) is 3-methoxy-2-methyl-2-[(2-methylcyclohexyl)methylamino]propanoic acid.
What is the SMILES notation for 3-methoxy-2-methyl-2-[(2-methylcyclohexyl)methylamino]propanoic acid?
The canonical SMILES for 3-methoxy-2-methyl-2-[(2-methylcyclohexyl)methylamino]propanoic acid is COCC(C)(NCC1CCCCC1C)C(=O)O.
What is the InChIKey of 3-methoxy-2-methyl-2-[(2-methylcyclohexyl)methylamino]propanoic acid?
The InChIKey is BFZJHOBTFBNMRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-10-6-4-5-7-11(10)8-14-13(2,9-17-3)12(15)16/h10-11,14H,4-9H2,1-3H3,(H,15,16).
What are the key properties of 3-methoxy-2-methyl-2-[(2-methylcyclohexyl)methylamino]propanoic acid?
3-methoxy-2-methyl-2-[(2-methylcyclohexyl)methylamino]propanoic acid has a molecular weight of 243.35 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-methyl-2-[(2-methylcyclohexyl)methylamino]propanoic acid is sourced from PubChem (CID 115002435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).