methyl 2-[(4-amino-3-methyloxolane-3-carbonyl)-methylamino]acetate

C10H18N2O4 — CID 66250642

IUPACmethyl 2-[(4-amino-3-methyloxolane-3-carbonyl)-methylamino]acetate
SMILESCOC(=O)CN(C)C(=O)C1(C)COCC1N
InChIInChI=1S/C10H18N2O4/c1-10(6-16-5-7(10)11)9(14)12(2)4-8(13)15-3/h7H,4-6,11H2,1-3H3
InChIKeyJTMSNHDRJDXBNV-UHFFFAOYSA-N
MW230.26 g/mol
LogP-1.02
Rot. Bonds3

About methyl 2-[(4-amino-3-methyloxolane-3-carbonyl)-methylamino]acetate

methyl 2-[(4-amino-3-methyloxolane-3-carbonyl)-methylamino]acetate (PubChem CID 66250642) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is methyl 2-[(4-amino-3-methyloxolane-3-carbonyl)-methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(4-amino-3-methyloxolane-3-carbonyl)-methylamino]acetate
PubChem CID66250642
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Namemethyl 2-[(4-amino-3-methyloxolane-3-carbonyl)-methylamino]acetate
SMILESCOC(=O)CN(C)C(=O)C1(C)COCC1N
InChIInChI=1S/C10H18N2O4/c1-10(6-16-5-7(10)11)9(14)12(2)4-8(13)15-3/h7H,4-6,11H2,1-3H3
InChIKeyJTMSNHDRJDXBNV-UHFFFAOYSA-N
XLogP-1.02
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-1.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-[2-(ethylamino)-2-oxoethyl]-N,3-dimethyloxolane-3-carboxamide
CID 66249276
4-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N,3-dimethyloxolane-3-carboxamide
CID 66250254
4-amino-N-[2-(diethylamino)-2-oxoethyl]-N,3-dimethyloxolane-3-carboxamide
CID 66250253
4-amino-N-[(3-hydroxycyclobutyl)methyl]-N,3-dimethyloxolane-3-carboxamide
CID 66263908
4-amino-N,3-dimethyl-N-propan-2-yloxolane-3-carboxamide
CID 66251169
ethyl 4-amino-3-methyloxolane-3-carboxylate
CID 66250331
4-amino-N-cyclopropyl-N-(2-hydroxyethyl)-3-methyloxolane-3-carboxamide
CID 66248643
4-amino-N-[2-(4-fluorophenoxy)ethyl]-N,3-dimethyloxolane-3-carboxamide
CID 66248870
4-amino-N,3-dimethyl-N-[(4-methylsulfanylphenyl)methyl]oxolane-3-carboxamide
CID 66249851
4-amino-N,3-dimethyl-N-(3-phenylpropyl)oxolane-3-carboxamide
CID 66249430
4-amino-N,3-dimethyl-N-(oxan-4-yl)oxolane-3-carboxamide
CID 66250019
4-amino-N-(2-hydroxyethyl)-3-methyl-N-propan-2-yloxolane-3-carboxamide
CID 66248252

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-amino-3-methyloxolane-3-carbonyl)-methylamino]acetate?
The IUPAC name of methyl 2-[(4-amino-3-methyloxolane-3-carbonyl)-methylamino]acetate (CID 66250642) is methyl 2-[(4-amino-3-methyloxolane-3-carbonyl)-methylamino]acetate.
What is the SMILES notation for methyl 2-[(4-amino-3-methyloxolane-3-carbonyl)-methylamino]acetate?
The canonical SMILES for methyl 2-[(4-amino-3-methyloxolane-3-carbonyl)-methylamino]acetate is COC(=O)CN(C)C(=O)C1(C)COCC1N.
What is the InChIKey of methyl 2-[(4-amino-3-methyloxolane-3-carbonyl)-methylamino]acetate?
The InChIKey is JTMSNHDRJDXBNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-10(6-16-5-7(10)11)9(14)12(2)4-8(13)15-3/h7H,4-6,11H2,1-3H3.
What are the key properties of methyl 2-[(4-amino-3-methyloxolane-3-carbonyl)-methylamino]acetate?
methyl 2-[(4-amino-3-methyloxolane-3-carbonyl)-methylamino]acetate has a molecular weight of 230.26 g/mol, XLogP of -1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-amino-3-methyloxolane-3-carbonyl)-methylamino]acetate is sourced from PubChem (CID 66250642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).