methyl 3-[[2-amino-2-(oxan-4-yl)acetyl]amino]-2-methylpropanoate

C12H22N2O4 — CID 120791632

IUPACmethyl 3-[[2-amino-2-(oxan-4-yl)acetyl]amino]-2-methylpropanoate
SMILESCOC(=O)C(C)CNC(=O)C(N)C1CCOCC1
InChIInChI=1S/C12H22N2O4/c1-8(12(16)17-2)7-14-11(15)10(13)9-3-5-18-6-4-9/h8-10H,3-7,13H2,1-2H3,(H,14,15)
InChIKeyCOLZXZPBNGRHFX-UHFFFAOYSA-N
MW258.32 g/mol
LogP-0.33
Rot. Bonds5

About methyl 3-[[2-amino-2-(oxan-4-yl)acetyl]amino]-2-methylpropanoate

methyl 3-[[2-amino-2-(oxan-4-yl)acetyl]amino]-2-methylpropanoate (PubChem CID 120791632) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is methyl 3-[[2-amino-2-(oxan-4-yl)acetyl]amino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-[[2-amino-2-(oxan-4-yl)acetyl]amino]-2-methylpropanoate
PubChem CID120791632
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Namemethyl 3-[[2-amino-2-(oxan-4-yl)acetyl]amino]-2-methylpropanoate
SMILESCOC(=O)C(C)CNC(=O)C(N)C1CCOCC1
InChIInChI=1S/C12H22N2O4/c1-8(12(16)17-2)7-14-11(15)10(13)9-3-5-18-6-4-9/h8-10H,3-7,13H2,1-2H3,(H,14,15)
InChIKeyCOLZXZPBNGRHFX-UHFFFAOYSA-N
XLogP-0.33
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 3-[[2-amino-2-(oxan-4-yl)acetyl]amino]-2-methylpropanoate with MolForge

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Related Compounds

2-amino-N-(3-methoxy-2-methylpropyl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120790079
2-amino-N-(2,3-dimethylbutyl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120794307
2-amino-2-(oxan-4-yl)-N-propylacetamide
CID 120783160
2-amino-N-(2-methoxy-2-methylpropyl)-2-(oxan-4-yl)acetamide
CID 120793782
propan-2-yl 3-[[2-amino-2-(oxan-4-yl)acetyl]amino]propanoate
CID 120784836
2-amino-2-(oxan-4-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide;hydrochloride
CID 120789401
2-amino-N-(2-hydroxy-4,4-dimethylpentyl)-2-(oxan-4-yl)acetamide
CID 120793986
2-amino-N-(2,2-diethylbutyl)-2-(oxan-4-yl)acetamide
CID 120796618
methyl 2-methyl-3-(oxan-4-yl)propanoate
CID 67765970
2-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120799495
2-amino-N-(1-cyclopropyl-2-methoxyethyl)-2-(oxan-4-yl)acetamide
CID 120801790
2-amino-N-(3-methylsulfanylpropyl)-2-(oxan-4-yl)acetamide
CID 120785888

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-amino-2-(oxan-4-yl)acetyl]amino]-2-methylpropanoate?
The IUPAC name of methyl 3-[[2-amino-2-(oxan-4-yl)acetyl]amino]-2-methylpropanoate (CID 120791632) is methyl 3-[[2-amino-2-(oxan-4-yl)acetyl]amino]-2-methylpropanoate.
What is the SMILES notation for methyl 3-[[2-amino-2-(oxan-4-yl)acetyl]amino]-2-methylpropanoate?
The canonical SMILES for methyl 3-[[2-amino-2-(oxan-4-yl)acetyl]amino]-2-methylpropanoate is COC(=O)C(C)CNC(=O)C(N)C1CCOCC1.
What is the InChIKey of methyl 3-[[2-amino-2-(oxan-4-yl)acetyl]amino]-2-methylpropanoate?
The InChIKey is COLZXZPBNGRHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-8(12(16)17-2)7-14-11(15)10(13)9-3-5-18-6-4-9/h8-10H,3-7,13H2,1-2H3,(H,14,15).
What are the key properties of methyl 3-[[2-amino-2-(oxan-4-yl)acetyl]amino]-2-methylpropanoate?
methyl 3-[[2-amino-2-(oxan-4-yl)acetyl]amino]-2-methylpropanoate has a molecular weight of 258.32 g/mol, XLogP of -0.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-amino-2-(oxan-4-yl)acetyl]amino]-2-methylpropanoate is sourced from PubChem (CID 120791632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).