(2S,5R)-5-(aminomethyl)-N-(3-ethylcyclohexyl)oxolane-2-carboxamide;hydrochloride

C14H27ClN2O2 — CID 120794013

IUPAC(2S,5R)-5-(aminomethyl)-N-(3-ethylcyclohexyl)oxolane-2-carboxamide;hydrochloride
SMILESCCC1CCCC(NC(=O)[C@@H]2CC[C@H](CN)O2)C1.Cl
InChIInChI=1S/C14H26N2O2.ClH/c1-2-10-4-3-5-11(8-10)16-14(17)13-7-6-12(9-15)18-13;/h10-13H,2-9,15H2,1H3,(H,16,17);1H/t10?,11?,12-,13+;/m1./s1
InChIKeyQNEGFLOIBHVZLM-AWJSDRKHSA-N
MW290.83 g/mol
LogP2.00
Rot. Bonds4

About (2S,5R)-5-(aminomethyl)-N-(3-ethylcyclohexyl)oxolane-2-carboxamide;hydrochloride

(2S,5R)-5-(aminomethyl)-N-(3-ethylcyclohexyl)oxolane-2-carboxamide;hydrochloride (PubChem CID 120794013) has the molecular formula C14H27ClN2O2 and a molecular weight of 290.83 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-(3-ethylcyclohexyl)oxolane-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-(3-ethylcyclohexyl)oxolane-2-carboxamide;hydrochloride
PubChem CID120794013
Molecular FormulaC14H27ClN2O2
Molecular Weight290.83 g/mol
Exact Mass290.18
IUPAC Name(2S,5R)-5-(aminomethyl)-N-(3-ethylcyclohexyl)oxolane-2-carboxamide;hydrochloride
SMILESCCC1CCCC(NC(=O)[C@@H]2CC[C@H](CN)O2)C1.Cl
InChIInChI=1S/C14H26N2O2.ClH/c1-2-10-4-3-5-11(8-10)16-14(17)13-7-6-12(9-15)18-13;/h10-13H,2-9,15H2,1H3,(H,16,17);1H/t10?,11?,12-,13+;/m1./s1
InChIKeyQNEGFLOIBHVZLM-AWJSDRKHSA-N
XLogP2.00
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.83
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,5R)-5-(aminomethyl)-N-[3-(propan-2-ylcarbamoyl)cyclohexyl]oxolane-2-carboxamide;hydrochloride
CID 120791401
(2S,5R)-5-(aminomethyl)-N-(3,5-dimethylcyclohexyl)oxolane-2-carboxamide;hydrochloride
CID 120793763
(2S,5R)-5-(aminomethyl)-N-(4-butylcyclohexyl)oxolane-2-carboxamide;hydrochloride
CID 120789873
(2S,5R)-5-(aminomethyl)-N-(4,4-dimethylcyclohexyl)oxolane-2-carboxamide;hydrochloride
CID 120793583
5-(aminomethyl)-N-(2-methyloxan-4-yl)oxolane-2-carboxamide
CID 114107782
(2S,5R)-5-(aminomethyl)-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)oxolane-2-carboxamide;dihydrochloride
CID 120801529
5-(aminomethyl)-N-(thiolan-3-yl)oxolane-2-carboxamide
CID 103063003
(2S,5R)-5-(aminomethyl)-N-(2-cyclohexylcyclopropyl)oxolane-2-carboxamide
CID 120794960
(2S,5R)-5-(aminomethyl)-N-(2-propylcyclopropyl)oxolane-2-carboxamide
CID 120796188
(2S,5R)-5-(aminomethyl)-N-(cyclohexylmethyl)oxolane-2-carboxamide
CID 120782860
(2S,5R)-5-(aminomethyl)-N-(1-cyclopentylethyl)oxolane-2-carboxamide;hydrochloride
CID 120792979
(2S,5R)-5-(aminomethyl)-N-(3-oxaspiro[5.5]undecan-9-yl)oxolane-2-carboxamide;hydrochloride
CID 120796425

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-(3-ethylcyclohexyl)oxolane-2-carboxamide;hydrochloride?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-(3-ethylcyclohexyl)oxolane-2-carboxamide;hydrochloride (CID 120794013) is (2S,5R)-5-(aminomethyl)-N-(3-ethylcyclohexyl)oxolane-2-carboxamide;hydrochloride.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-(3-ethylcyclohexyl)oxolane-2-carboxamide;hydrochloride?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-(3-ethylcyclohexyl)oxolane-2-carboxamide;hydrochloride is CCC1CCCC(NC(=O)[C@@H]2CC[C@H](CN)O2)C1.Cl.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-(3-ethylcyclohexyl)oxolane-2-carboxamide;hydrochloride?
The InChIKey is QNEGFLOIBHVZLM-AWJSDRKHSA-N. The full InChI is InChI=1S/C14H26N2O2.ClH/c1-2-10-4-3-5-11(8-10)16-14(17)13-7-6-12(9-15)18-13;/h10-13H,2-9,15H2,1H3,(H,16,17);1H/t10?,11?,12-,13+;/m1./s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-(3-ethylcyclohexyl)oxolane-2-carboxamide;hydrochloride?
(2S,5R)-5-(aminomethyl)-N-(3-ethylcyclohexyl)oxolane-2-carboxamide;hydrochloride has a molecular weight of 290.83 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-(aminomethyl)-N-(3-ethylcyclohexyl)oxolane-2-carboxamide;hydrochloride is sourced from PubChem (CID 120794013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).