methyl 3-[(2,3-dimethylcyclohexyl)amino]propanoate

C12H23NO2 — CID 43242623

IUPACmethyl 3-[(2,3-dimethylcyclohexyl)amino]propanoate
SMILESCOC(=O)CCNC1CCCC(C)C1C
InChIInChI=1S/C12H23NO2/c1-9-5-4-6-11(10(9)2)13-8-7-12(14)15-3/h9-11,13H,4-8H2,1-3H3
InChIKeyQLMIITHNUZLSPL-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.96
Rot. Bonds4

About methyl 3-[(2,3-dimethylcyclohexyl)amino]propanoate

methyl 3-[(2,3-dimethylcyclohexyl)amino]propanoate (PubChem CID 43242623) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is methyl 3-[(2,3-dimethylcyclohexyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(2,3-dimethylcyclohexyl)amino]propanoate
PubChem CID43242623
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Namemethyl 3-[(2,3-dimethylcyclohexyl)amino]propanoate
SMILESCOC(=O)CCNC1CCCC(C)C1C
InChIInChI=1S/C12H23NO2/c1-9-5-4-6-11(10(9)2)13-8-7-12(14)15-3/h9-11,13H,4-8H2,1-3H3
InChIKeyQLMIITHNUZLSPL-UHFFFAOYSA-N
XLogP1.96
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[[(1S,2S)-2-hydroxycyclohexyl]amino]propanoate
CID 102731054
2-[(3-methoxy-3-oxopropyl)amino]cyclobutane-1-carboxylic acid
CID 103240382
tert-butyl 3-[[(1S,2S)-2-methylcyclohexyl]amino]propanoate
CID 94133529
3-[(2,3-dimethylcyclohexyl)amino]propan-1-ol
CID 60672378
methyl 2-[[4-[[(1S,2S,3R)-2,3-dimethylcyclohexyl]amino]-4-oxobutanoyl]amino]acetate
CID 7299825
2,3-dimethyl-N-(2-propoxyethyl)cyclohexan-1-amine
CID 106451456
N-(cyanomethyl)-2-[(2,3-dimethylcyclohexyl)amino]acetamide
CID 43199293
2-[[(2,3-dimethylcyclohexyl)amino]methyl]prop-2-enoic acid
CID 103234709
N'-(2,3-dimethylcyclohexyl)methanediamine
CID 143582027
tert-butyl 4-[(2,3-dimethylcyclohexyl)amino]-4-oxobutanoate
CID 106706973
2,3-dimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]cyclohexan-1-amine
CID 64775564
methyl 3-[(3-aminocyclohexyl)amino]propanoate
CID 79458540

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2,3-dimethylcyclohexyl)amino]propanoate?
The IUPAC name of methyl 3-[(2,3-dimethylcyclohexyl)amino]propanoate (CID 43242623) is methyl 3-[(2,3-dimethylcyclohexyl)amino]propanoate.
What is the SMILES notation for methyl 3-[(2,3-dimethylcyclohexyl)amino]propanoate?
The canonical SMILES for methyl 3-[(2,3-dimethylcyclohexyl)amino]propanoate is COC(=O)CCNC1CCCC(C)C1C.
What is the InChIKey of methyl 3-[(2,3-dimethylcyclohexyl)amino]propanoate?
The InChIKey is QLMIITHNUZLSPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-9-5-4-6-11(10(9)2)13-8-7-12(14)15-3/h9-11,13H,4-8H2,1-3H3.
What are the key properties of methyl 3-[(2,3-dimethylcyclohexyl)amino]propanoate?
methyl 3-[(2,3-dimethylcyclohexyl)amino]propanoate has a molecular weight of 213.32 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2,3-dimethylcyclohexyl)amino]propanoate is sourced from PubChem (CID 43242623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).