(2S,5R)-5-(aminomethyl)-N-(2-cyclohexyl-2-hydroxyethyl)oxolane-2-carboxamide;hydrochloride

C14H27ClN2O3 — CID 120788183

IUPAC(2S,5R)-5-(aminomethyl)-N-(2-cyclohexyl-2-hydroxyethyl)oxolane-2-carboxamide;hydrochloride
SMILESCl.NC[C@H]1CC[C@@H](C(=O)NCC(O)C2CCCCC2)O1
InChIInChI=1S/C14H26N2O3.ClH/c15-8-11-6-7-13(19-11)14(18)16-9-12(17)10-4-2-1-3-5-10;/h10-13,17H,1-9,15H2,(H,16,18);1H/t11-,12?,13+;/m1./s1
InChIKeyBEWDJFNVBJEQFV-CSYBZOQDSA-N
MW306.83 g/mol
LogP0.97
Rot. Bonds5

About (2S,5R)-5-(aminomethyl)-N-(2-cyclohexyl-2-hydroxyethyl)oxolane-2-carboxamide;hydrochloride

(2S,5R)-5-(aminomethyl)-N-(2-cyclohexyl-2-hydroxyethyl)oxolane-2-carboxamide;hydrochloride (PubChem CID 120788183) has the molecular formula C14H27ClN2O3 and a molecular weight of 306.83 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-(2-cyclohexyl-2-hydroxyethyl)oxolane-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-(2-cyclohexyl-2-hydroxyethyl)oxolane-2-carboxamide;hydrochloride
PubChem CID120788183
Molecular FormulaC14H27ClN2O3
Molecular Weight306.83 g/mol
Exact Mass306.17
IUPAC Name(2S,5R)-5-(aminomethyl)-N-(2-cyclohexyl-2-hydroxyethyl)oxolane-2-carboxamide;hydrochloride
SMILESCl.NC[C@H]1CC[C@@H](C(=O)NCC(O)C2CCCCC2)O1
InChIInChI=1S/C14H26N2O3.ClH/c15-8-11-6-7-13(19-11)14(18)16-9-12(17)10-4-2-1-3-5-10;/h10-13,17H,1-9,15H2,(H,16,18);1H/t11-,12?,13+;/m1./s1
InChIKeyBEWDJFNVBJEQFV-CSYBZOQDSA-N
XLogP0.97
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.83
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-N-(2,2-difluoroethyl)oxolane-2-carboxamide
CID 115406853
(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-(2-hydroxy-4,4-dimethylpentyl)oxolane-2-carboxamide;hydrochloride
CID 120793983
(2S,5R)-5-(aminomethyl)-N-[2-[(2-cyclohexylacetyl)amino]ethyl]oxolane-2-carboxamide;hydrochloride
CID 120791439
(2S,5R)-5-(aminomethyl)-N-(dicyclopropylmethyl)oxolane-2-carboxamide;hydrochloride
CID 120785367
(2S,5R)-5-(aminomethyl)-N-[2-hydroxy-2-(2-methylphenyl)ethyl]oxolane-2-carboxamide;hydrochloride
CID 120793169
(2S,5R)-5-(aminomethyl)-N-(oxan-2-ylmethyl)oxolane-2-carboxamide
CID 120789270
(2S,5R)-5-(aminomethyl)-N-[2-(2-methylcyclohexyl)ethyl]oxolane-2-carboxamide;hydrochloride
CID 120793047
(2S,5R)-5-(aminomethyl)-N-(2,3-diphenylpropyl)oxolane-2-carboxamide;hydrochloride
CID 120794963
(2S,5R)-5-(aminomethyl)-N-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]oxolane-2-carboxamide
CID 120793942
3-amino-N-(2-cyclohexyl-2-hydroxyethyl)propanamide;hydrochloride
CID 119293866

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-(2-cyclohexyl-2-hydroxyethyl)oxolane-2-carboxamide;hydrochloride?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-(2-cyclohexyl-2-hydroxyethyl)oxolane-2-carboxamide;hydrochloride (CID 120788183) is (2S,5R)-5-(aminomethyl)-N-(2-cyclohexyl-2-hydroxyethyl)oxolane-2-carboxamide;hydrochloride.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-(2-cyclohexyl-2-hydroxyethyl)oxolane-2-carboxamide;hydrochloride?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-(2-cyclohexyl-2-hydroxyethyl)oxolane-2-carboxamide;hydrochloride is Cl.NC[C@H]1CC[C@@H](C(=O)NCC(O)C2CCCCC2)O1.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-(2-cyclohexyl-2-hydroxyethyl)oxolane-2-carboxamide;hydrochloride?
The InChIKey is BEWDJFNVBJEQFV-CSYBZOQDSA-N. The full InChI is InChI=1S/C14H26N2O3.ClH/c15-8-11-6-7-13(19-11)14(18)16-9-12(17)10-4-2-1-3-5-10;/h10-13,17H,1-9,15H2,(H,16,18);1H/t11-,12?,13+;/m1./s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-(2-cyclohexyl-2-hydroxyethyl)oxolane-2-carboxamide;hydrochloride?
(2S,5R)-5-(aminomethyl)-N-(2-cyclohexyl-2-hydroxyethyl)oxolane-2-carboxamide;hydrochloride has a molecular weight of 306.83 g/mol, XLogP of 0.97, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-(aminomethyl)-N-(2-cyclohexyl-2-hydroxyethyl)oxolane-2-carboxamide;hydrochloride is sourced from PubChem (CID 120788183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).