methyl 2-[4-[[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]amino]oxan-4-yl]acetate

C14H24N2O5 — CID 120793572

IUPACmethyl 2-[4-[[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]amino]oxan-4-yl]acetate
SMILESCOC(=O)CC1(NC(=O)[C@@H]2CC[C@H](CN)O2)CCOCC1
InChIInChI=1S/C14H24N2O5/c1-19-12(17)8-14(4-6-20-7-5-14)16-13(18)11-3-2-10(9-15)21-11/h10-11H,2-9,15H2,1H3,(H,16,18)/t10-,11+/m1/s1
InChIKeyRJOYMDFTVDTRID-MNOVXSKESA-N
MW300.36 g/mol
LogP-0.28
Rot. Bonds5

About methyl 2-[4-[[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]amino]oxan-4-yl]acetate

methyl 2-[4-[[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]amino]oxan-4-yl]acetate (PubChem CID 120793572) has the molecular formula C14H24N2O5 and a molecular weight of 300.36 g/mol. Its IUPAC name is methyl 2-[4-[[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]amino]oxan-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]amino]oxan-4-yl]acetate
PubChem CID120793572
Molecular FormulaC14H24N2O5
Molecular Weight300.36 g/mol
Exact Mass300.17
IUPAC Namemethyl 2-[4-[[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]amino]oxan-4-yl]acetate
SMILESCOC(=O)CC1(NC(=O)[C@@H]2CC[C@H](CN)O2)CCOCC1
InChIInChI=1S/C14H24N2O5/c1-19-12(17)8-14(4-6-20-7-5-14)16-13(18)11-3-2-10(9-15)21-11/h10-11H,2-9,15H2,1H3,(H,16,18)/t10-,11+/m1/s1
InChIKeyRJOYMDFTVDTRID-MNOVXSKESA-N
XLogP-0.28
TPSA99.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 2-[4-[[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]amino]oxan-4-yl]acetate with MolForge

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Related Compounds

(2S,5R)-5-(aminomethyl)-N-(1-ethylcyclobutyl)oxolane-2-carboxamide;hydrochloride
CID 120793811
methyl 1-[[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]amino]cyclopentane-1-carboxylate
CID 120785620
methyl 2-[[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]amino]acetate
CID 120787676
2-[4-[(5-methyloxolane-2-carbonyl)amino]oxan-4-yl]acetic acid
CID 120521391
methyl 1-[[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]amino]cyclohexane-1-carboxylate;hydrochloride
CID 120785387
(2S,5R)-5-(aminomethyl)-N-(3-oxaspiro[5.5]undecan-9-yl)oxolane-2-carboxamide;hydrochloride
CID 120796425
(2S,5R)-5-(aminomethyl)-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]oxolane-2-carboxamide
CID 120796422
(2S,5R)-5-(aminomethyl)-N-(4,4-dimethylcyclohexyl)oxolane-2-carboxamide;hydrochloride
CID 120793583
(2S,5R)-5-(aminomethyl)-N-(1-benzylcyclobutyl)oxolane-2-carboxamide;hydrochloride
CID 120795417
(2S,5R)-5-(aminomethyl)-N-[(1-methylcyclobutyl)methyl]oxolane-2-carboxamide
CID 120794770
(2S,5R)-5-(aminomethyl)-N-(2-methyl-2-morpholin-4-ylpropyl)oxolane-2-carboxamide
CID 120796944
(2S,5R)-5-(aminomethyl)-N-[(1-methylcyclopentyl)methyl]oxolane-2-carboxamide;hydrochloride
CID 120792797

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]amino]oxan-4-yl]acetate?
The IUPAC name of methyl 2-[4-[[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]amino]oxan-4-yl]acetate (CID 120793572) is methyl 2-[4-[[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]amino]oxan-4-yl]acetate.
What is the SMILES notation for methyl 2-[4-[[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]amino]oxan-4-yl]acetate?
The canonical SMILES for methyl 2-[4-[[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]amino]oxan-4-yl]acetate is COC(=O)CC1(NC(=O)[C@@H]2CC[C@H](CN)O2)CCOCC1.
What is the InChIKey of methyl 2-[4-[[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]amino]oxan-4-yl]acetate?
The InChIKey is RJOYMDFTVDTRID-MNOVXSKESA-N. The full InChI is InChI=1S/C14H24N2O5/c1-19-12(17)8-14(4-6-20-7-5-14)16-13(18)11-3-2-10(9-15)21-11/h10-11H,2-9,15H2,1H3,(H,16,18)/t10-,11+/m1/s1.
What are the key properties of methyl 2-[4-[[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]amino]oxan-4-yl]acetate?
methyl 2-[4-[[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]amino]oxan-4-yl]acetate has a molecular weight of 300.36 g/mol, XLogP of -0.28, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]amino]oxan-4-yl]acetate is sourced from PubChem (CID 120793572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).