2-[cycloheptyl(methyl)amino]-3-methoxy-2-methylpropanoic acid

C13H25NO3 — CID 115002428

IUPAC2-[cycloheptyl(methyl)amino]-3-methoxy-2-methylpropanoic acid
SMILESCOCC(C)(C(=O)O)N(C)C1CCCCCC1
InChIInChI=1S/C13H25NO3/c1-13(10-17-3,12(15)16)14(2)11-8-6-4-5-7-9-11/h11H,4-10H2,1-3H3,(H,15,16)
InChIKeyLRSTUIWMUKBVID-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.13
Rot. Bonds5

About 2-[cycloheptyl(methyl)amino]-3-methoxy-2-methylpropanoic acid

2-[cycloheptyl(methyl)amino]-3-methoxy-2-methylpropanoic acid (PubChem CID 115002428) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-[cycloheptyl(methyl)amino]-3-methoxy-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[cycloheptyl(methyl)amino]-3-methoxy-2-methylpropanoic acid
PubChem CID115002428
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Name2-[cycloheptyl(methyl)amino]-3-methoxy-2-methylpropanoic acid
SMILESCOCC(C)(C(=O)O)N(C)C1CCCCCC1
InChIInChI=1S/C13H25NO3/c1-13(10-17-3,12(15)16)14(2)11-8-6-4-5-7-9-11/h11H,4-10H2,1-3H3,(H,15,16)
InChIKeyLRSTUIWMUKBVID-UHFFFAOYSA-N
XLogP2.13
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[cycloheptyl(methyl)amino]-3-methoxy-2-methylpropanoic 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

2-[cyclopentyl(methyl)amino]-2-methylbutanoic acid
CID 82238511
2-[cyclopropyl(2-methoxyethyl)amino]-3-methoxy-2-methylpropanoic acid
CID 115002746
2-[2,2-dimethylpropyl(methyl)amino]-3-methoxy-2-methylpropanoic acid
CID 115001724
2-[ethyl(piperidin-4-yl)amino]-3-methoxy-2-methylpropanoic acid
CID 115002512
2-[cycloheptyl(methyl)amino]-2-cyclopropylpropanoic acid
CID 114994706
2-[cyclopropyl(methyl)amino]-2-methylpentanoic acid
CID 114988949
2-[cyclohexyl(ethyl)amino]-2-methylpentanoic acid
CID 114991400
3-[cyclobutyl(methyl)amino]-3-methylbutanoic acid
CID 117042397
2-cyclobutyloxy-3-methoxy-2-methylpropanoic acid
CID 114997758
3-[[cyclohexyl(methyl)carbamoyl]amino]-2,2-dimethylpropanoic acid
CID 113308086
2-[cyclohexyl(methyl)amino]-3-methoxypropanoic acid
CID 103224494
N-methyl-N-(2-methylbutan-2-yl)cyclohexanamine
CID 126515554

Frequently Asked Questions

What is the IUPAC name of 2-[cycloheptyl(methyl)amino]-3-methoxy-2-methylpropanoic acid?
The IUPAC name of 2-[cycloheptyl(methyl)amino]-3-methoxy-2-methylpropanoic acid (CID 115002428) is 2-[cycloheptyl(methyl)amino]-3-methoxy-2-methylpropanoic acid.
What is the SMILES notation for 2-[cycloheptyl(methyl)amino]-3-methoxy-2-methylpropanoic acid?
The canonical SMILES for 2-[cycloheptyl(methyl)amino]-3-methoxy-2-methylpropanoic acid is COCC(C)(C(=O)O)N(C)C1CCCCCC1.
What is the InChIKey of 2-[cycloheptyl(methyl)amino]-3-methoxy-2-methylpropanoic acid?
The InChIKey is LRSTUIWMUKBVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-13(10-17-3,12(15)16)14(2)11-8-6-4-5-7-9-11/h11H,4-10H2,1-3H3,(H,15,16).
What are the key properties of 2-[cycloheptyl(methyl)amino]-3-methoxy-2-methylpropanoic acid?
2-[cycloheptyl(methyl)amino]-3-methoxy-2-methylpropanoic acid has a molecular weight of 243.35 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cycloheptyl(methyl)amino]-3-methoxy-2-methylpropanoic acid is sourced from PubChem (CID 115002428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).