(2S,5R)-5-(aminomethyl)-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]oxolane-2-carboxamide;hydrochloride

C15H29ClN2O3 — CID 120796417

IUPAC(2S,5R)-5-(aminomethyl)-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]oxolane-2-carboxamide;hydrochloride
SMILESCCOCCC1(CNC(=O)[C@@H]2CC[C@H](CN)O2)CCC1.Cl
InChIInChI=1S/C15H28N2O3.ClH/c1-2-19-9-8-15(6-3-7-15)11-17-14(18)13-5-4-12(10-16)20-13;/h12-13H,2-11,16H2,1H3,(H,17,18);1H/t12-,13+;/m1./s1
InChIKeyDEIGYUOBSSMGCF-KZCZEQIWSA-N
MW320.86 g/mol
LogP1.63
Rot. Bonds8

About (2S,5R)-5-(aminomethyl)-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]oxolane-2-carboxamide;hydrochloride

(2S,5R)-5-(aminomethyl)-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]oxolane-2-carboxamide;hydrochloride (PubChem CID 120796417) has the molecular formula C15H29ClN2O3 and a molecular weight of 320.86 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]oxolane-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]oxolane-2-carboxamide;hydrochloride
PubChem CID120796417
Molecular FormulaC15H29ClN2O3
Molecular Weight320.86 g/mol
Exact Mass320.19
IUPAC Name(2S,5R)-5-(aminomethyl)-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]oxolane-2-carboxamide;hydrochloride
SMILESCCOCCC1(CNC(=O)[C@@H]2CC[C@H](CN)O2)CCC1.Cl
InChIInChI=1S/C15H28N2O3.ClH/c1-2-19-9-8-15(6-3-7-15)11-17-14(18)13-5-4-12(10-16)20-13;/h12-13H,2-11,16H2,1H3,(H,17,18);1H/t12-,13+;/m1./s1
InChIKeyDEIGYUOBSSMGCF-KZCZEQIWSA-N
XLogP1.63
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.86
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S,5R)-5-(aminomethyl)-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]oxolane-2-carboxamide
CID 120796422
(2S,5R)-5-(aminomethyl)-N-[(1-methylcyclopentyl)methyl]oxolane-2-carboxamide;hydrochloride
CID 120792797
(2S)-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]oxolane-2-carboxamide
CID 97100966
(2S,5R)-5-(aminomethyl)-N-[(1-methylcyclobutyl)methyl]oxolane-2-carboxamide
CID 120794770
5-(aminomethyl)-N-[[1-(dimethylamino)cyclopentyl]methyl]oxolane-2-carboxamide
CID 83110105
N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119820344
(2S,5R)-5-(aminomethyl)-N-[(2-methylthiolan-2-yl)methyl]oxolane-2-carboxamide;hydrochloride
CID 120795481
(2S,5R)-5-(aminomethyl)-N-(1-ethylcyclobutyl)oxolane-2-carboxamide;hydrochloride
CID 120793811
(2S,5R)-5-(aminomethyl)-N-[(1-propan-2-ylcyclopropyl)methyl]oxolane-2-carboxamide
CID 120794756
1-[[[5-(aminomethyl)oxolane-2-carbonyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115450789
9-amino-N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120992642
2-(cyclopropylmethylamino)-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]acetamide;hydrochloride
CID 119820320

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]oxolane-2-carboxamide;hydrochloride?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]oxolane-2-carboxamide;hydrochloride (CID 120796417) is (2S,5R)-5-(aminomethyl)-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]oxolane-2-carboxamide;hydrochloride.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]oxolane-2-carboxamide;hydrochloride?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]oxolane-2-carboxamide;hydrochloride is CCOCCC1(CNC(=O)[C@@H]2CC[C@H](CN)O2)CCC1.Cl.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]oxolane-2-carboxamide;hydrochloride?
The InChIKey is DEIGYUOBSSMGCF-KZCZEQIWSA-N. The full InChI is InChI=1S/C15H28N2O3.ClH/c1-2-19-9-8-15(6-3-7-15)11-17-14(18)13-5-4-12(10-16)20-13;/h12-13H,2-11,16H2,1H3,(H,17,18);1H/t12-,13+;/m1./s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]oxolane-2-carboxamide;hydrochloride?
(2S,5R)-5-(aminomethyl)-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]oxolane-2-carboxamide;hydrochloride has a molecular weight of 320.86 g/mol, XLogP of 1.63, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-(aminomethyl)-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]oxolane-2-carboxamide;hydrochloride is sourced from PubChem (CID 120796417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).