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

C17H33NO2 — CID 65086959

IUPACmethyl 4-methyl-2-[(4-propan-2-ylcycloheptyl)amino]pentanoate
SMILESCOC(=O)C(CC(C)C)NC1CCCC(C(C)C)CC1
InChIInChI=1S/C17H33NO2/c1-12(2)11-16(17(19)20-5)18-15-8-6-7-14(9-10-15)13(3)4/h12-16,18H,6-11H2,1-5H3
InChIKeySQWYEZXYIGIVHS-UHFFFAOYSA-N
MW283.46 g/mol
LogP3.77
Rot. Bonds6

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

methyl 4-methyl-2-[(4-propan-2-ylcycloheptyl)amino]pentanoate (PubChem CID 65086959) has the molecular formula C17H33NO2 and a molecular weight of 283.46 g/mol. Its IUPAC name is methyl 4-methyl-2-[(4-propan-2-ylcycloheptyl)amino]pentanoate.

Molecular Properties

Compound Namemethyl 4-methyl-2-[(4-propan-2-ylcycloheptyl)amino]pentanoate
PubChem CID65086959
Molecular FormulaC17H33NO2
Molecular Weight283.46 g/mol
Exact Mass283.25
IUPAC Namemethyl 4-methyl-2-[(4-propan-2-ylcycloheptyl)amino]pentanoate
SMILESCOC(=O)C(CC(C)C)NC1CCCC(C(C)C)CC1
InChIInChI=1S/C17H33NO2/c1-12(2)11-16(17(19)20-5)18-15-8-6-7-14(9-10-15)13(3)4/h12-16,18H,6-11H2,1-5H3
InChIKeySQWYEZXYIGIVHS-UHFFFAOYSA-N
XLogP3.77
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[(4-aminocyclohexyl)amino]-4-methylpentanoate
CID 79724266
methyl 2-[(4-ethylcyclohexyl)amino]-4-methylpentanoate
CID 43688945
methyl 4-methyl-2-(piperidin-4-ylamino)pentanoate
CID 61016873
methyl 4-methyl-2-[(1-propan-2-ylpiperidin-4-yl)amino]pentanoate
CID 43688946
methyl 4-methyl-2-[(2-methylcyclopentyl)amino]pentanoate
CID 65044317
N,4-dimethyl-2-[(3-propan-2-ylcyclohexyl)amino]pentanamide
CID 107448285
4-methyl-2-[(4-propan-2-ylcycloheptyl)amino]pentan-1-ol
CID 65091413
methyl 2-[(2-cyanocyclopentyl)amino]-4-methylpentanoate
CID 55114184
methyl 2-[[2-(cyclopentylamino)acetyl]amino]-4-methylpentanoate
CID 60687231
methyl 4-cyclopentyloxy-2-(cyclopropylamino)butanoate
CID 63041385
methyl 2-(cyclohexylcarbamothioylamino)-4-methylpentanoate
CID 116507939
N,N,4-trimethyl-2-[(4-methylcycloheptyl)amino]pentanamide
CID 65080591

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-2-[(4-propan-2-ylcycloheptyl)amino]pentanoate?
The IUPAC name of methyl 4-methyl-2-[(4-propan-2-ylcycloheptyl)amino]pentanoate (CID 65086959) is methyl 4-methyl-2-[(4-propan-2-ylcycloheptyl)amino]pentanoate.
What is the SMILES notation for methyl 4-methyl-2-[(4-propan-2-ylcycloheptyl)amino]pentanoate?
The canonical SMILES for methyl 4-methyl-2-[(4-propan-2-ylcycloheptyl)amino]pentanoate is COC(=O)C(CC(C)C)NC1CCCC(C(C)C)CC1.
What is the InChIKey of methyl 4-methyl-2-[(4-propan-2-ylcycloheptyl)amino]pentanoate?
The InChIKey is SQWYEZXYIGIVHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO2/c1-12(2)11-16(17(19)20-5)18-15-8-6-7-14(9-10-15)13(3)4/h12-16,18H,6-11H2,1-5H3.
What are the key properties of methyl 4-methyl-2-[(4-propan-2-ylcycloheptyl)amino]pentanoate?
methyl 4-methyl-2-[(4-propan-2-ylcycloheptyl)amino]pentanoate has a molecular weight of 283.46 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-2-[(4-propan-2-ylcycloheptyl)amino]pentanoate is sourced from PubChem (CID 65086959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).