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

C9H16N2O4 — CID 120787676

IUPACmethyl 2-[[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]amino]acetate
SMILESCOC(=O)CNC(=O)[C@@H]1CC[C@H](CN)O1
InChIInChI=1S/C9H16N2O4/c1-14-8(12)5-11-9(13)7-3-2-6(4-10)15-7/h6-7H,2-5,10H2,1H3,(H,11,13)/t6-,7+/m1/s1
InChIKeyOIBKIHCZZFVRIT-RQJHMYQMSA-N
MW216.24 g/mol
LogP-1.22
Rot. Bonds4

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

methyl 2-[[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]amino]acetate (PubChem CID 120787676) has the molecular formula C9H16N2O4 and a molecular weight of 216.24 g/mol. Its IUPAC name is methyl 2-[[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]amino]acetate
PubChem CID120787676
Molecular FormulaC9H16N2O4
Molecular Weight216.24 g/mol
Exact Mass216.11
IUPAC Namemethyl 2-[[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]amino]acetate
SMILESCOC(=O)CNC(=O)[C@@H]1CC[C@H](CN)O1
InChIInChI=1S/C9H16N2O4/c1-14-8(12)5-11-9(13)7-3-2-6(4-10)15-7/h6-7H,2-5,10H2,1H3,(H,11,13)/t6-,7+/m1/s1
InChIKeyOIBKIHCZZFVRIT-RQJHMYQMSA-N
XLogP-1.22
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 5-1.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

N-[3-(Methylamino)propyl]oxolane-2-carboxamide
CID 10535559
(2S)-2-amino-6-[[(2R)-oxolane-2-carbonyl]amino]hexanoic acid
CID 71251516
2-Amino-6-((r)-tetrahydrofuran-2-carboxamido)hexanoic acid
CID 91599044
methyl (2S)-3,3-dimethyl-2-(oxolane-2-carbonylamino)butanoate
CID 60336430
Methyl 3-(oxolan-2-ylformamido)propanoate
CID 60636005
tert-butyl 2-[[(2S)-oxolane-2-carbonyl]amino]acetate
CID 96494977
5-(aminomethyl)-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]oxolane-2-carboxamide
CID 80004561
Methyl 3-[[5-(aminomethyl)oxolane-2-carbonyl]-(2,2,2-trifluoroethyl)amino]propanoate
CID 80004576
2-[[5-(Aminomethyl)oxolane-2-carbonyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 80012189
5-(aminomethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]oxolane-2-carboxamide
CID 80012249
5-(aminomethyl)-N-(5,5,5-trifluoropentyl)oxolane-2-carboxamide
CID 113327532
5-(aminomethyl)-N-[2-(2,2-difluoroethoxy)ethyl]oxolane-2-carboxamide
CID 114127400

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]amino]acetate?
The IUPAC name of methyl 2-[[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]amino]acetate (CID 120787676) is methyl 2-[[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]amino]acetate.
What is the SMILES notation for methyl 2-[[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]amino]acetate?
The canonical SMILES for methyl 2-[[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]amino]acetate is COC(=O)CNC(=O)[C@@H]1CC[C@H](CN)O1.
What is the InChIKey of methyl 2-[[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]amino]acetate?
The InChIKey is OIBKIHCZZFVRIT-RQJHMYQMSA-N. The full InChI is InChI=1S/C9H16N2O4/c1-14-8(12)5-11-9(13)7-3-2-6(4-10)15-7/h6-7H,2-5,10H2,1H3,(H,11,13)/t6-,7+/m1/s1.
What are the key properties of methyl 2-[[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]amino]acetate?
methyl 2-[[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]amino]acetate has a molecular weight of 216.24 g/mol, XLogP of -1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]amino]acetate is sourced from PubChem (CID 120787676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).