methyl 2-[[4-(3-hydroxypropyl)cyclohexyl]amino]-2-methylpropanoate

C14H27NO3 — CID 162510317

IUPACmethyl 2-[[4-(3-hydroxypropyl)cyclohexyl]amino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)NC1CCC(CCCO)CC1
InChIInChI=1S/C14H27NO3/c1-14(2,13(17)18-3)15-12-8-6-11(7-9-12)5-4-10-16/h11-12,15-16H,4-10H2,1-3H3
InChIKeyDHVXUCPLBXJSSI-UHFFFAOYSA-N
MW257.37 g/mol
LogP1.86
Rot. Bonds6

About methyl 2-[[4-(3-hydroxypropyl)cyclohexyl]amino]-2-methylpropanoate

methyl 2-[[4-(3-hydroxypropyl)cyclohexyl]amino]-2-methylpropanoate (PubChem CID 162510317) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is methyl 2-[[4-(3-hydroxypropyl)cyclohexyl]amino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[[4-(3-hydroxypropyl)cyclohexyl]amino]-2-methylpropanoate
PubChem CID162510317
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Namemethyl 2-[[4-(3-hydroxypropyl)cyclohexyl]amino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)NC1CCC(CCCO)CC1
InChIInChI=1S/C14H27NO3/c1-14(2,13(17)18-3)15-12-8-6-11(7-9-12)5-4-10-16/h11-12,15-16H,4-10H2,1-3H3
InChIKeyDHVXUCPLBXJSSI-UHFFFAOYSA-N
XLogP1.86
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4-(3-hydroxypropyl)cyclohexyl]amino]-2-methylpropanoate?
The IUPAC name of methyl 2-[[4-(3-hydroxypropyl)cyclohexyl]amino]-2-methylpropanoate (CID 162510317) is methyl 2-[[4-(3-hydroxypropyl)cyclohexyl]amino]-2-methylpropanoate.
What is the SMILES notation for methyl 2-[[4-(3-hydroxypropyl)cyclohexyl]amino]-2-methylpropanoate?
The canonical SMILES for methyl 2-[[4-(3-hydroxypropyl)cyclohexyl]amino]-2-methylpropanoate is COC(=O)C(C)(C)NC1CCC(CCCO)CC1.
What is the InChIKey of methyl 2-[[4-(3-hydroxypropyl)cyclohexyl]amino]-2-methylpropanoate?
The InChIKey is DHVXUCPLBXJSSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-14(2,13(17)18-3)15-12-8-6-11(7-9-12)5-4-10-16/h11-12,15-16H,4-10H2,1-3H3.
What are the key properties of methyl 2-[[4-(3-hydroxypropyl)cyclohexyl]amino]-2-methylpropanoate?
methyl 2-[[4-(3-hydroxypropyl)cyclohexyl]amino]-2-methylpropanoate has a molecular weight of 257.37 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[4-(3-hydroxypropyl)cyclohexyl]amino]-2-methylpropanoate is sourced from PubChem (CID 162510317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).