(2S,5R)-5-(aminomethyl)-N-cycloheptyl-N-methyloxolane-2-carboxamide

C14H26N2O2 — CID 120784974

IUPAC(2S,5R)-5-(aminomethyl)-N-cycloheptyl-N-methyloxolane-2-carboxamide
SMILESCN(C(=O)[C@@H]1CC[C@H](CN)O1)C1CCCCCC1
InChIInChI=1S/C14H26N2O2/c1-16(11-6-4-2-3-5-7-11)14(17)13-9-8-12(10-15)18-13/h11-13H,2-10,15H2,1H3/t12-,13+/m1/s1
InChIKeyMHZVIMZXEJHIFC-OLZOCXBDSA-N
MW254.37 g/mol
LogP1.67
Rot. Bonds3

About (2S,5R)-5-(aminomethyl)-N-cycloheptyl-N-methyloxolane-2-carboxamide

(2S,5R)-5-(aminomethyl)-N-cycloheptyl-N-methyloxolane-2-carboxamide (PubChem CID 120784974) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-cycloheptyl-N-methyloxolane-2-carboxamide.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-cycloheptyl-N-methyloxolane-2-carboxamide
PubChem CID120784974
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name(2S,5R)-5-(aminomethyl)-N-cycloheptyl-N-methyloxolane-2-carboxamide
SMILESCN(C(=O)[C@@H]1CC[C@H](CN)O1)C1CCCCCC1
InChIInChI=1S/C14H26N2O2/c1-16(11-6-4-2-3-5-7-11)14(17)13-9-8-12(10-15)18-13/h11-13H,2-10,15H2,1H3/t12-,13+/m1/s1
InChIKeyMHZVIMZXEJHIFC-OLZOCXBDSA-N
XLogP1.67
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,5R)-5-(aminomethyl)-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)oxolane-2-carboxamide
CID 120797670
(2R,5R)-5-(aminomethyl)-N,N-dimethyloxolane-2-carboxamide
CID 97050721
(2S,5R)-5-(aminomethyl)-N-methyl-N-(oxolan-3-yl)oxolane-2-carboxamide;hydrochloride
CID 120792261
(2S,5R)-5-(aminomethyl)-N-cyclopentyl-N-propan-2-yloxolane-2-carboxamide
CID 120787762
(2S,5R)-5-(aminomethyl)-N-(2-cyclohexylethyl)-N-methyloxolane-2-carboxamide;hydrochloride
CID 120791383
(2R,5S)-5-[cyclopropyl(methyl)carbamoyl]oxolane-2-carboxylic acid
CID 102944218
5-(aminomethyl)-N-(1-hydroxypropan-2-yl)-N-methyloxolane-2-carboxamide
CID 104551738
(2S,5R)-5-(aminomethyl)-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)oxolane-2-carboxamide
CID 120800140
5-(aminomethyl)-N-methyl-N-(2-methylsulfanylethyl)oxolane-2-carboxamide
CID 112658871
(2S,5R)-5-(aminomethyl)-N-cyclopropyl-N-(1-cyclopropylethyl)oxolane-2-carboxamide
CID 120787918
(2S,5R)-5-(aminomethyl)-N-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]oxolane-2-carboxamide
CID 120801102
(2S,5R)-5-(aminomethyl)-N-[2-(diethylamino)-2-oxoethyl]-N-methyloxolane-2-carboxamide;hydrochloride
CID 120784111

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-cycloheptyl-N-methyloxolane-2-carboxamide?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-cycloheptyl-N-methyloxolane-2-carboxamide (CID 120784974) is (2S,5R)-5-(aminomethyl)-N-cycloheptyl-N-methyloxolane-2-carboxamide.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-cycloheptyl-N-methyloxolane-2-carboxamide?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-cycloheptyl-N-methyloxolane-2-carboxamide is CN(C(=O)[C@@H]1CC[C@H](CN)O1)C1CCCCCC1.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-cycloheptyl-N-methyloxolane-2-carboxamide?
The InChIKey is MHZVIMZXEJHIFC-OLZOCXBDSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-16(11-6-4-2-3-5-7-11)14(17)13-9-8-12(10-15)18-13/h11-13H,2-10,15H2,1H3/t12-,13+/m1/s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-cycloheptyl-N-methyloxolane-2-carboxamide?
(2S,5R)-5-(aminomethyl)-N-cycloheptyl-N-methyloxolane-2-carboxamide has a molecular weight of 254.37 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-(aminomethyl)-N-cycloheptyl-N-methyloxolane-2-carboxamide is sourced from PubChem (CID 120784974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).