(2S,5R)-5-(aminomethyl)-N-(1-ethylcyclobutyl)oxolane-2-carboxamide;hydrochloride

C12H23ClN2O2 — CID 120793811

IUPAC(2S,5R)-5-(aminomethyl)-N-(1-ethylcyclobutyl)oxolane-2-carboxamide;hydrochloride
SMILESCCC1(NC(=O)[C@@H]2CC[C@H](CN)O2)CCC1.Cl
InChIInChI=1S/C12H22N2O2.ClH/c1-2-12(6-3-7-12)14-11(15)10-5-4-9(8-13)16-10;/h9-10H,2-8,13H2,1H3,(H,14,15);1H/t9-,10+;/m1./s1
InChIKeySFSKEAPCVVQVNJ-UXQCFNEQSA-N
MW262.78 g/mol
LogP1.36
Rot. Bonds4

About (2S,5R)-5-(aminomethyl)-N-(1-ethylcyclobutyl)oxolane-2-carboxamide;hydrochloride

(2S,5R)-5-(aminomethyl)-N-(1-ethylcyclobutyl)oxolane-2-carboxamide;hydrochloride (PubChem CID 120793811) has the molecular formula C12H23ClN2O2 and a molecular weight of 262.78 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-(1-ethylcyclobutyl)oxolane-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-(1-ethylcyclobutyl)oxolane-2-carboxamide;hydrochloride
PubChem CID120793811
Molecular FormulaC12H23ClN2O2
Molecular Weight262.78 g/mol
Exact Mass262.14
IUPAC Name(2S,5R)-5-(aminomethyl)-N-(1-ethylcyclobutyl)oxolane-2-carboxamide;hydrochloride
SMILESCCC1(NC(=O)[C@@H]2CC[C@H](CN)O2)CCC1.Cl
InChIInChI=1S/C12H22N2O2.ClH/c1-2-12(6-3-7-12)14-11(15)10-5-4-9(8-13)16-10;/h9-10H,2-8,13H2,1H3,(H,14,15);1H/t9-,10+;/m1./s1
InChIKeySFSKEAPCVVQVNJ-UXQCFNEQSA-N
XLogP1.36
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.78
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S,5R)-5-(aminomethyl)-N-(1-ethylcyclobutyl)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-(1-benzylcyclobutyl)oxolane-2-carboxamide;hydrochloride
CID 120795417
methyl 1-[[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]amino]cyclohexane-1-carboxylate;hydrochloride
CID 120785387
methyl 1-[[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]amino]cyclopentane-1-carboxylate
CID 120785620
(2S,5R)-5-(aminomethyl)-N-[(1-methylcyclobutyl)methyl]oxolane-2-carboxamide
CID 120794770
methyl 2-[4-[[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]amino]oxan-4-yl]acetate
CID 120793572
(2S,5R)-5-(aminomethyl)-N-[(1-methylcyclopentyl)methyl]oxolane-2-carboxamide;hydrochloride
CID 120792797
(2S,5R)-5-(aminomethyl)-N-(4,4-dimethylcyclohexyl)oxolane-2-carboxamide;hydrochloride
CID 120793583
(2S,5R)-5-(aminomethyl)-N-(1-cyclopentylethyl)oxolane-2-carboxamide;hydrochloride
CID 120792979
(2S,5R)-5-(aminomethyl)-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]oxolane-2-carboxamide;hydrochloride
CID 120796417
(2S,5R)-5-(aminomethyl)-N-(1-phenylcyclopentyl)oxolane-2-carboxamide;hydrochloride
CID 120793343
(2S,5R)-5-(aminomethyl)-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]oxolane-2-carboxamide
CID 120796422
N-[1-(aminomethyl)cyclohexyl]-5-methyloxolane-2-carboxamide
CID 81327458

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-(1-ethylcyclobutyl)oxolane-2-carboxamide;hydrochloride?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-(1-ethylcyclobutyl)oxolane-2-carboxamide;hydrochloride (CID 120793811) is (2S,5R)-5-(aminomethyl)-N-(1-ethylcyclobutyl)oxolane-2-carboxamide;hydrochloride.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-(1-ethylcyclobutyl)oxolane-2-carboxamide;hydrochloride?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-(1-ethylcyclobutyl)oxolane-2-carboxamide;hydrochloride is CCC1(NC(=O)[C@@H]2CC[C@H](CN)O2)CCC1.Cl.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-(1-ethylcyclobutyl)oxolane-2-carboxamide;hydrochloride?
The InChIKey is SFSKEAPCVVQVNJ-UXQCFNEQSA-N. The full InChI is InChI=1S/C12H22N2O2.ClH/c1-2-12(6-3-7-12)14-11(15)10-5-4-9(8-13)16-10;/h9-10H,2-8,13H2,1H3,(H,14,15);1H/t9-,10+;/m1./s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-(1-ethylcyclobutyl)oxolane-2-carboxamide;hydrochloride?
(2S,5R)-5-(aminomethyl)-N-(1-ethylcyclobutyl)oxolane-2-carboxamide;hydrochloride has a molecular weight of 262.78 g/mol, XLogP of 1.36, 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-(1-ethylcyclobutyl)oxolane-2-carboxamide;hydrochloride is sourced from PubChem (CID 120793811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).