methyl 2-[(2-methylcyclohexyl)amino]butanoate

C12H23NO2 — CID 115279491

IUPACmethyl 2-[(2-methylcyclohexyl)amino]butanoate
SMILESCCC(NC1CCCCC1C)C(=O)OC
InChIInChI=1S/C12H23NO2/c1-4-10(12(14)15-3)13-11-8-6-5-7-9(11)2/h9-11,13H,4-8H2,1-3H3
InChIKeyQEJZBFMHTAPWON-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.11
Rot. Bonds4

About methyl 2-[(2-methylcyclohexyl)amino]butanoate

methyl 2-[(2-methylcyclohexyl)amino]butanoate (PubChem CID 115279491) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is methyl 2-[(2-methylcyclohexyl)amino]butanoate.

Molecular Properties

Compound Namemethyl 2-[(2-methylcyclohexyl)amino]butanoate
PubChem CID115279491
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Namemethyl 2-[(2-methylcyclohexyl)amino]butanoate
SMILESCCC(NC1CCCCC1C)C(=O)OC
InChIInChI=1S/C12H23NO2/c1-4-10(12(14)15-3)13-11-8-6-5-7-9(11)2/h9-11,13H,4-8H2,1-3H3
InChIKeyQEJZBFMHTAPWON-UHFFFAOYSA-N
XLogP2.11
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 ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-methylcyclohexyl)amino]butanamide
CID 62901176
methyl 4-methyl-2-[(2-methylcyclopentyl)amino]pentanoate
CID 65044317
methyl 2-[(1,3-dimethylpiperidin-4-yl)amino]butanoate
CID 114503255
ethyl 2-[(2-methylcycloheptyl)amino]pentanoate
CID 83040703
ethyl 2-[(2,3-dimethylcyclohexyl)amino]butanoate
CID 64667349
methyl (2R)-2-methyl-3-[[(1R,2R)-2-methylcyclohexyl]amino]propanoate
CID 93035087
methyl 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)butanoate
CID 113292420
methyl 2-acetamido-3-[(2-methylcyclohexyl)amino]propanoate
CID 103235516
methyl (2R)-2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-phenylacetate
CID 98077087
methyl 2-acetamido-3-[(2-methylcycloheptyl)amino]propanoate
CID 103254963
methyl (2S)-4-methyl-2-[[(1S,2S)-2-methylcyclohexyl]carbamoylamino]pentanoate
CID 939585
ethyl 2-[[2-(hydroxymethyl)cyclohexyl]amino]butanoate
CID 104696264

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-methylcyclohexyl)amino]butanoate?
The IUPAC name of methyl 2-[(2-methylcyclohexyl)amino]butanoate (CID 115279491) is methyl 2-[(2-methylcyclohexyl)amino]butanoate.
What is the SMILES notation for methyl 2-[(2-methylcyclohexyl)amino]butanoate?
The canonical SMILES for methyl 2-[(2-methylcyclohexyl)amino]butanoate is CCC(NC1CCCCC1C)C(=O)OC.
What is the InChIKey of methyl 2-[(2-methylcyclohexyl)amino]butanoate?
The InChIKey is QEJZBFMHTAPWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-4-10(12(14)15-3)13-11-8-6-5-7-9(11)2/h9-11,13H,4-8H2,1-3H3.
What are the key properties of methyl 2-[(2-methylcyclohexyl)amino]butanoate?
methyl 2-[(2-methylcyclohexyl)amino]butanoate has a molecular weight of 213.32 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-methylcyclohexyl)amino]butanoate is sourced from PubChem (CID 115279491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).