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

C14H26N2O3 — CID 120796422

IUPAC(2S,5R)-5-(aminomethyl)-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]oxolane-2-carboxamide
SMILESCOCCC1(CNC(=O)[C@@H]2CC[C@H](CN)O2)CCC1
InChIInChI=1S/C14H26N2O3/c1-18-8-7-14(5-2-6-14)10-16-13(17)12-4-3-11(9-15)19-12/h11-12H,2-10,15H2,1H3,(H,16,17)/t11-,12+/m1/s1
InChIKeyCDJBUFFLBUHDEE-NEPJUHHUSA-N
MW270.37 g/mol
LogP0.82
Rot. Bonds7

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

(2S,5R)-5-(aminomethyl)-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]oxolane-2-carboxamide (PubChem CID 120796422) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]oxolane-2-carboxamide
PubChem CID120796422
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name(2S,5R)-5-(aminomethyl)-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]oxolane-2-carboxamide
SMILESCOCCC1(CNC(=O)[C@@H]2CC[C@H](CN)O2)CCC1
InChIInChI=1S/C14H26N2O3/c1-18-8-7-14(5-2-6-14)10-16-13(17)12-4-3-11(9-15)19-12/h11-12H,2-10,15H2,1H3,(H,16,17)/t11-,12+/m1/s1
InChIKeyCDJBUFFLBUHDEE-NEPJUHHUSA-N
XLogP0.82
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,5R)-5-(aminomethyl)-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]oxolane-2-carboxamide;hydrochloride
CID 120796417
(2S,5R)-5-(aminomethyl)-N-[(1-methylcyclobutyl)methyl]oxolane-2-carboxamide
CID 120794770
(2S,5R)-5-(aminomethyl)-N-[(1-methylcyclopentyl)methyl]oxolane-2-carboxamide;hydrochloride
CID 120792797
5-(aminomethyl)-N-[[1-(dimethylamino)cyclopentyl]methyl]oxolane-2-carboxamide
CID 83110105
methyl 2-[[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]amino]acetate
CID 120787676
(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
(2S,5R)-5-(aminomethyl)-N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]oxolane-2-carboxamide
CID 120789842
methyl 1-[[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]amino]cyclopentane-1-carboxylate
CID 120785620
4-(aminomethyl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]cyclohexane-1-carboxamide
CID 104694634
N-[[1-(2-methoxyethyl)cyclobutyl]methyl]morpholine-2-carboxamide;hydrochloride
CID 119820394
(1R,6S)-N-[[1-(2-methoxyethyl)cyclohexyl]methyl]bicyclo[4.1.0]heptane-7-carboxamide
CID 99786429

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]oxolane-2-carboxamide?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]oxolane-2-carboxamide (CID 120796422) is (2S,5R)-5-(aminomethyl)-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]oxolane-2-carboxamide.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]oxolane-2-carboxamide?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]oxolane-2-carboxamide is COCCC1(CNC(=O)[C@@H]2CC[C@H](CN)O2)CCC1.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]oxolane-2-carboxamide?
The InChIKey is CDJBUFFLBUHDEE-NEPJUHHUSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-18-8-7-14(5-2-6-14)10-16-13(17)12-4-3-11(9-15)19-12/h11-12H,2-10,15H2,1H3,(H,16,17)/t11-,12+/m1/s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]oxolane-2-carboxamide?
(2S,5R)-5-(aminomethyl)-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]oxolane-2-carboxamide has a molecular weight of 270.37 g/mol, XLogP of 0.82, 7 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-methoxyethyl)cyclobutyl]methyl]oxolane-2-carboxamide is sourced from PubChem (CID 120796422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).