methyl 2-methyl-2-[(4-propan-2-ylcycloheptyl)amino]propanoate

C15H29NO2 — CID 65086625

IUPACmethyl 2-methyl-2-[(4-propan-2-ylcycloheptyl)amino]propanoate
SMILESCOC(=O)C(C)(C)NC1CCCC(C(C)C)CC1
InChIInChI=1S/C15H29NO2/c1-11(2)12-7-6-8-13(10-9-12)16-15(3,4)14(17)18-5/h11-13,16H,6-10H2,1-5H3
InChIKeyUOUWGQUTPHPABG-UHFFFAOYSA-N
MW255.40 g/mol
LogP3.13
Rot. Bonds4

About methyl 2-methyl-2-[(4-propan-2-ylcycloheptyl)amino]propanoate

methyl 2-methyl-2-[(4-propan-2-ylcycloheptyl)amino]propanoate (PubChem CID 65086625) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is methyl 2-methyl-2-[(4-propan-2-ylcycloheptyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-[(4-propan-2-ylcycloheptyl)amino]propanoate
PubChem CID65086625
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Namemethyl 2-methyl-2-[(4-propan-2-ylcycloheptyl)amino]propanoate
SMILESCOC(=O)C(C)(C)NC1CCCC(C(C)C)CC1
InChIInChI=1S/C15H29NO2/c1-11(2)12-7-6-8-13(10-9-12)16-15(3,4)14(17)18-5/h11-13,16H,6-10H2,1-5H3
InChIKeyUOUWGQUTPHPABG-UHFFFAOYSA-N
XLogP3.13
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-methyl-2-[(3-propan-2-ylcyclohexyl)amino]propanoate
CID 107448178
methyl 2-methyl-2-[(3-propan-2-ylcyclobutyl)amino]propanoate
CID 103561404
methyl 2-[(4,4-dimethylcycloheptyl)amino]-2-methylpropanoate
CID 65084105
methyl 2-[(4-ethylcyclohexyl)amino]-2-methylpropanoate
CID 43725918
methyl 2-[(1,1-dioxothian-4-yl)amino]-2-methylpropanoate
CID 43726170
methyl 2-(1-cyclopropylethylamino)-2-methylpropanoate
CID 43726079
methyl 2-[[4-(3-hydroxypropyl)cyclohexyl]amino]-2-methylpropanoate
CID 162510317
methyl 2-[(3,3-dimethylcyclopentyl)amino]-2-methylpropanoate
CID 80706394
methyl 4-methyl-2-[(4-propan-2-ylcycloheptyl)amino]pentanoate
CID 65086959
tert-butyl N-[2-[(4-propan-2-ylcycloheptyl)amino]cyclopropyl]carbamate
CID 107237703
methyl 2-(2,3-dihydro-1H-inden-2-ylamino)-2-methylpropanoate
CID 43726172
methyl 2-[[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]amino]-2-methylpropanoate
CID 95629912

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-[(4-propan-2-ylcycloheptyl)amino]propanoate?
The IUPAC name of methyl 2-methyl-2-[(4-propan-2-ylcycloheptyl)amino]propanoate (CID 65086625) is methyl 2-methyl-2-[(4-propan-2-ylcycloheptyl)amino]propanoate.
What is the SMILES notation for methyl 2-methyl-2-[(4-propan-2-ylcycloheptyl)amino]propanoate?
The canonical SMILES for methyl 2-methyl-2-[(4-propan-2-ylcycloheptyl)amino]propanoate is COC(=O)C(C)(C)NC1CCCC(C(C)C)CC1.
What is the InChIKey of methyl 2-methyl-2-[(4-propan-2-ylcycloheptyl)amino]propanoate?
The InChIKey is UOUWGQUTPHPABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-11(2)12-7-6-8-13(10-9-12)16-15(3,4)14(17)18-5/h11-13,16H,6-10H2,1-5H3.
What are the key properties of methyl 2-methyl-2-[(4-propan-2-ylcycloheptyl)amino]propanoate?
methyl 2-methyl-2-[(4-propan-2-ylcycloheptyl)amino]propanoate has a molecular weight of 255.40 g/mol, XLogP of 3.13, 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-[(4-propan-2-ylcycloheptyl)amino]propanoate is sourced from PubChem (CID 65086625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).