(2S,5R)-5-(aminomethyl)-N-(4,4-dimethylcyclohexyl)oxolane-2-carboxamide;hydrochloride

C14H27ClN2O2 — CID 120793583

IUPAC(2S,5R)-5-(aminomethyl)-N-(4,4-dimethylcyclohexyl)oxolane-2-carboxamide;hydrochloride
SMILESCC1(C)CCC(NC(=O)[C@@H]2CC[C@H](CN)O2)CC1.Cl
InChIInChI=1S/C14H26N2O2.ClH/c1-14(2)7-5-10(6-8-14)16-13(17)12-4-3-11(9-15)18-12;/h10-12H,3-9,15H2,1-2H3,(H,16,17);1H/t11-,12+;/m1./s1
InChIKeyMZUDQNFFVMAMMB-LYCTWNKOSA-N
MW290.84 g/mol
LogP2.00
Rot. Bonds3

About (2S,5R)-5-(aminomethyl)-N-(4,4-dimethylcyclohexyl)oxolane-2-carboxamide;hydrochloride

(2S,5R)-5-(aminomethyl)-N-(4,4-dimethylcyclohexyl)oxolane-2-carboxamide;hydrochloride (PubChem CID 120793583) has the molecular formula C14H27ClN2O2 and a molecular weight of 290.84 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-(4,4-dimethylcyclohexyl)oxolane-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-(4,4-dimethylcyclohexyl)oxolane-2-carboxamide;hydrochloride
PubChem CID120793583
Molecular FormulaC14H27ClN2O2
Molecular Weight290.84 g/mol
Exact Mass290.18
IUPAC Name(2S,5R)-5-(aminomethyl)-N-(4,4-dimethylcyclohexyl)oxolane-2-carboxamide;hydrochloride
SMILESCC1(C)CCC(NC(=O)[C@@H]2CC[C@H](CN)O2)CC1.Cl
InChIInChI=1S/C14H26N2O2.ClH/c1-14(2)7-5-10(6-8-14)16-13(17)12-4-3-11(9-15)18-12;/h10-12H,3-9,15H2,1-2H3,(H,16,17);1H/t11-,12+;/m1./s1
InChIKeyMZUDQNFFVMAMMB-LYCTWNKOSA-N
XLogP2.00
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.84
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,5R)-5-(aminomethyl)-N-(3-oxaspiro[5.5]undecan-9-yl)oxolane-2-carboxamide;hydrochloride
CID 120796425
(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
5-(aminomethyl)-N-(thiolan-3-yl)oxolane-2-carboxamide
CID 103063003
(2S,5R)-5-(aminomethyl)-N-[(1-methylcyclopentyl)methyl]oxolane-2-carboxamide;hydrochloride
CID 120792797
(2S,5R)-5-(aminomethyl)-N-(3-ethylcyclohexyl)oxolane-2-carboxamide;hydrochloride
CID 120794013
5-(aminomethyl)-N-(2-methyloxan-4-yl)oxolane-2-carboxamide
CID 114107782
(2S,5R)-5-(aminomethyl)-N-[3-(propan-2-ylcarbamoyl)cyclohexyl]oxolane-2-carboxamide;hydrochloride
CID 120791401
2-[[5-(aminomethyl)oxolane-2-carbonyl]amino]-1-methylcyclohexane-1-carboxylic acid
CID 83214389
(2S,5R)-5-(aminomethyl)-N-[(1-methylcyclobutyl)methyl]oxolane-2-carboxamide
CID 120794770
(2S,5R)-5-(aminomethyl)-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)oxolane-2-carboxamide;dihydrochloride
CID 120801529
(2S,5R)-5-(aminomethyl)-N-(1-ethylcyclobutyl)oxolane-2-carboxamide;hydrochloride
CID 120793811

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-(4,4-dimethylcyclohexyl)oxolane-2-carboxamide;hydrochloride?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-(4,4-dimethylcyclohexyl)oxolane-2-carboxamide;hydrochloride (CID 120793583) is (2S,5R)-5-(aminomethyl)-N-(4,4-dimethylcyclohexyl)oxolane-2-carboxamide;hydrochloride.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-(4,4-dimethylcyclohexyl)oxolane-2-carboxamide;hydrochloride?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-(4,4-dimethylcyclohexyl)oxolane-2-carboxamide;hydrochloride is CC1(C)CCC(NC(=O)[C@@H]2CC[C@H](CN)O2)CC1.Cl.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-(4,4-dimethylcyclohexyl)oxolane-2-carboxamide;hydrochloride?
The InChIKey is MZUDQNFFVMAMMB-LYCTWNKOSA-N. The full InChI is InChI=1S/C14H26N2O2.ClH/c1-14(2)7-5-10(6-8-14)16-13(17)12-4-3-11(9-15)18-12;/h10-12H,3-9,15H2,1-2H3,(H,16,17);1H/t11-,12+;/m1./s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-(4,4-dimethylcyclohexyl)oxolane-2-carboxamide;hydrochloride?
(2S,5R)-5-(aminomethyl)-N-(4,4-dimethylcyclohexyl)oxolane-2-carboxamide;hydrochloride has a molecular weight of 290.84 g/mol, XLogP of 2.00, 3 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-(4,4-dimethylcyclohexyl)oxolane-2-carboxamide;hydrochloride is sourced from PubChem (CID 120793583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).