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

C16H31ClN2O2 — CID 120789873

IUPAC(2S,5R)-5-(aminomethyl)-N-(4-butylcyclohexyl)oxolane-2-carboxamide;hydrochloride
SMILESCCCCC1CCC(NC(=O)[C@@H]2CC[C@H](CN)O2)CC1.Cl
InChIInChI=1S/C16H30N2O2.ClH/c1-2-3-4-12-5-7-13(8-6-12)18-16(19)15-10-9-14(11-17)20-15;/h12-15H,2-11,17H2,1H3,(H,18,19);1H/t12?,13?,14-,15+;/m1./s1
InChIKeyKUPVXQOKCKGENQ-KXDOVKCZSA-N
MW318.89 g/mol
LogP2.78
Rot. Bonds6

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

(2S,5R)-5-(aminomethyl)-N-(4-butylcyclohexyl)oxolane-2-carboxamide;hydrochloride (PubChem CID 120789873) has the molecular formula C16H31ClN2O2 and a molecular weight of 318.89 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-(4-butylcyclohexyl)oxolane-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-(4-butylcyclohexyl)oxolane-2-carboxamide;hydrochloride
PubChem CID120789873
Molecular FormulaC16H31ClN2O2
Molecular Weight318.89 g/mol
Exact Mass318.21
IUPAC Name(2S,5R)-5-(aminomethyl)-N-(4-butylcyclohexyl)oxolane-2-carboxamide;hydrochloride
SMILESCCCCC1CCC(NC(=O)[C@@H]2CC[C@H](CN)O2)CC1.Cl
InChIInChI=1S/C16H30N2O2.ClH/c1-2-3-4-12-5-7-13(8-6-12)18-16(19)15-10-9-14(11-17)20-15;/h12-15H,2-11,17H2,1H3,(H,18,19);1H/t12?,13?,14-,15+;/m1./s1
InChIKeyKUPVXQOKCKGENQ-KXDOVKCZSA-N
XLogP2.78
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.89
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S,5R)-5-(aminomethyl)-N-(4-butylcyclohexyl)oxolane-2-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,5R)-5-(aminomethyl)-N-(4,4-dimethylcyclohexyl)oxolane-2-carboxamide;hydrochloride
CID 120793583
(2S,5R)-5-(aminomethyl)-N-(3-ethylcyclohexyl)oxolane-2-carboxamide;hydrochloride
CID 120794013
(2S,5R)-5-(aminomethyl)-N-(3,5-dimethylcyclohexyl)oxolane-2-carboxamide;hydrochloride
CID 120793763
(2S,5R)-5-(aminomethyl)-N-(2-propylcyclopropyl)oxolane-2-carboxamide
CID 120796188
(2S,5R)-5-(aminomethyl)-N-(3-oxaspiro[5.5]undecan-9-yl)oxolane-2-carboxamide;hydrochloride
CID 120796425
5-(aminomethyl)-N-(thiolan-3-yl)oxolane-2-carboxamide
CID 103063003
(2S,5R)-5-(aminomethyl)-N-(3-butoxypropyl)oxolane-2-carboxamide
CID 120783198
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
7-amino-N-(4-butylcyclohexyl)heptanamide;hydrochloride
CID 119750320
(2S,5R)-5-(aminomethyl)-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)oxolane-2-carboxamide;dihydrochloride
CID 120801529
ethyl N-(4-butylcyclohexyl)carbamate
CID 145473547

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-(4-butylcyclohexyl)oxolane-2-carboxamide;hydrochloride?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-(4-butylcyclohexyl)oxolane-2-carboxamide;hydrochloride (CID 120789873) is (2S,5R)-5-(aminomethyl)-N-(4-butylcyclohexyl)oxolane-2-carboxamide;hydrochloride.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-(4-butylcyclohexyl)oxolane-2-carboxamide;hydrochloride?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-(4-butylcyclohexyl)oxolane-2-carboxamide;hydrochloride is CCCCC1CCC(NC(=O)[C@@H]2CC[C@H](CN)O2)CC1.Cl.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-(4-butylcyclohexyl)oxolane-2-carboxamide;hydrochloride?
The InChIKey is KUPVXQOKCKGENQ-KXDOVKCZSA-N. The full InChI is InChI=1S/C16H30N2O2.ClH/c1-2-3-4-12-5-7-13(8-6-12)18-16(19)15-10-9-14(11-17)20-15;/h12-15H,2-11,17H2,1H3,(H,18,19);1H/t12?,13?,14-,15+;/m1./s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-(4-butylcyclohexyl)oxolane-2-carboxamide;hydrochloride?
(2S,5R)-5-(aminomethyl)-N-(4-butylcyclohexyl)oxolane-2-carboxamide;hydrochloride has a molecular weight of 318.89 g/mol, XLogP of 2.78, 6 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-butylcyclohexyl)oxolane-2-carboxamide;hydrochloride is sourced from PubChem (CID 120789873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).