methyl 2-methyl-2-[(3-propan-2-ylcyclohexyl)amino]propanoate

C14H27NO2 — CID 107448178

IUPACmethyl 2-methyl-2-[(3-propan-2-ylcyclohexyl)amino]propanoate
SMILESCOC(=O)C(C)(C)NC1CCCC(C(C)C)C1
InChIInChI=1S/C14H27NO2/c1-10(2)11-7-6-8-12(9-11)15-14(3,4)13(16)17-5/h10-12,15H,6-9H2,1-5H3
InChIKeyIPALDMQDDDZAHW-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.74
Rot. Bonds4

About methyl 2-methyl-2-[(3-propan-2-ylcyclohexyl)amino]propanoate

methyl 2-methyl-2-[(3-propan-2-ylcyclohexyl)amino]propanoate (PubChem CID 107448178) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is methyl 2-methyl-2-[(3-propan-2-ylcyclohexyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-[(3-propan-2-ylcyclohexyl)amino]propanoate
PubChem CID107448178
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Namemethyl 2-methyl-2-[(3-propan-2-ylcyclohexyl)amino]propanoate
SMILESCOC(=O)C(C)(C)NC1CCCC(C(C)C)C1
InChIInChI=1S/C14H27NO2/c1-10(2)11-7-6-8-12(9-11)15-14(3,4)13(16)17-5/h10-12,15H,6-9H2,1-5H3
InChIKeyIPALDMQDDDZAHW-UHFFFAOYSA-N
XLogP2.74
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-methyl-2-[(4-propan-2-ylcycloheptyl)amino]propanoate
CID 65086625
methyl 2-methyl-2-[(3-propan-2-ylcyclobutyl)amino]propanoate
CID 103561404
methyl 2-[(4,4-dimethylcycloheptyl)amino]-2-methylpropanoate
CID 65084105
2-amino-N-(3-propan-2-ylcyclohexyl)propanamide
CID 119319045
methyl 2-[(1,1-dioxothian-4-yl)amino]-2-methylpropanoate
CID 43726170
methyl 2-(1-cyclopropylethylamino)-2-methylpropanoate
CID 43726079
methyl 2-[(4-ethylcyclohexyl)amino]-2-methylpropanoate
CID 43725918
methyl 2-(2,3-dihydro-1H-inden-2-ylamino)-2-methylpropanoate
CID 43726172
methyl 2-[(3,3-dimethylcyclopentyl)amino]-2-methylpropanoate
CID 80706394
N-(2-methoxyethyl)-2-[(3-propan-2-ylcyclohexyl)amino]propanamide
CID 107448750
2,2-dimethyl-3-[(3-propan-2-ylcyclohexyl)amino]propan-1-ol
CID 107448688
tert-butyl 3-[(3-propan-2-ylcyclohexyl)amino]pyrrolidine-1-carboxylate
CID 107448863

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-[(3-propan-2-ylcyclohexyl)amino]propanoate?
The IUPAC name of methyl 2-methyl-2-[(3-propan-2-ylcyclohexyl)amino]propanoate (CID 107448178) is methyl 2-methyl-2-[(3-propan-2-ylcyclohexyl)amino]propanoate.
What is the SMILES notation for methyl 2-methyl-2-[(3-propan-2-ylcyclohexyl)amino]propanoate?
The canonical SMILES for methyl 2-methyl-2-[(3-propan-2-ylcyclohexyl)amino]propanoate is COC(=O)C(C)(C)NC1CCCC(C(C)C)C1.
What is the InChIKey of methyl 2-methyl-2-[(3-propan-2-ylcyclohexyl)amino]propanoate?
The InChIKey is IPALDMQDDDZAHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-10(2)11-7-6-8-12(9-11)15-14(3,4)13(16)17-5/h10-12,15H,6-9H2,1-5H3.
What are the key properties of methyl 2-methyl-2-[(3-propan-2-ylcyclohexyl)amino]propanoate?
methyl 2-methyl-2-[(3-propan-2-ylcyclohexyl)amino]propanoate has a molecular weight of 241.37 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2-[(3-propan-2-ylcyclohexyl)amino]propanoate is sourced from PubChem (CID 107448178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).