methyl 4-(cycloheptylamino)oxane-4-carboxylate

C14H25NO3 — CID 54892698

IUPACmethyl 4-(cycloheptylamino)oxane-4-carboxylate
SMILESCOC(=O)C1(NC2CCCCCC2)CCOCC1
InChIInChI=1S/C14H25NO3/c1-17-13(16)14(8-10-18-11-9-14)15-12-6-4-2-3-5-7-12/h12,15H,2-11H2,1H3
InChIKeyUTDJBDIVDVVELB-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.02
Rot. Bonds3

About methyl 4-(cycloheptylamino)oxane-4-carboxylate

methyl 4-(cycloheptylamino)oxane-4-carboxylate (PubChem CID 54892698) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is methyl 4-(cycloheptylamino)oxane-4-carboxylate.

Molecular Properties

Compound Namemethyl 4-(cycloheptylamino)oxane-4-carboxylate
PubChem CID54892698
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Namemethyl 4-(cycloheptylamino)oxane-4-carboxylate
SMILESCOC(=O)C1(NC2CCCCCC2)CCOCC1
InChIInChI=1S/C14H25NO3/c1-17-13(16)14(8-10-18-11-9-14)15-12-6-4-2-3-5-7-12/h12,15H,2-11H2,1H3
InChIKeyUTDJBDIVDVVELB-UHFFFAOYSA-N
XLogP2.02
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(Propan-2-yl)amino]oxane-4-carboxylic acid
CID 16243709
Methyl 4-(propan-2-ylamino)oxane-4-carboxylate
CID 60788331
Methyl 2-methyl-4-(propan-2-ylamino)oxane-4-carboxylate
CID 64108309
Methyl 4-(ethylamino)-2-methyloxane-4-carboxylate
CID 64108927
3,3-Dipropylmorpholin-2-one
CID 91581606
Methyl 4-[(3-methoxy-3-oxopropyl)amino]oxane-4-carboxylate
CID 147780175
Oxan-4-ylmethyl 2-(hexan-3-ylamino)propanoate
CID 155276878
4-(Butylamino)oxane-4-carboxylic acid
CID 16243713
(5S)-5-butan-2-yl-3,3-diethylmorpholin-2-one
CID 22689073
Methyl 3-methyl-2-(oxan-4-ylamino)pentanoate
CID 43732281
Methyl 2-(cycloheptylamino)-3-methylpentanoate
CID 43732305
Ethyl 4-(cyclohexylamino)oxane-4-carboxylate
CID 54892552

Frequently Asked Questions

What is the IUPAC name of methyl 4-(cycloheptylamino)oxane-4-carboxylate?
The IUPAC name of methyl 4-(cycloheptylamino)oxane-4-carboxylate (CID 54892698) is methyl 4-(cycloheptylamino)oxane-4-carboxylate.
What is the SMILES notation for methyl 4-(cycloheptylamino)oxane-4-carboxylate?
The canonical SMILES for methyl 4-(cycloheptylamino)oxane-4-carboxylate is COC(=O)C1(NC2CCCCCC2)CCOCC1.
What is the InChIKey of methyl 4-(cycloheptylamino)oxane-4-carboxylate?
The InChIKey is UTDJBDIVDVVELB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-17-13(16)14(8-10-18-11-9-14)15-12-6-4-2-3-5-7-12/h12,15H,2-11H2,1H3.
What are the key properties of methyl 4-(cycloheptylamino)oxane-4-carboxylate?
methyl 4-(cycloheptylamino)oxane-4-carboxylate has a molecular weight of 255.36 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(cycloheptylamino)oxane-4-carboxylate is sourced from PubChem (CID 54892698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).