methyl 3-[(3-aminooxolane-3-carbonyl)-(2-methylpropyl)amino]propanoate

C13H24N2O4 — CID 64890962

IUPACmethyl 3-[(3-aminooxolane-3-carbonyl)-(2-methylpropyl)amino]propanoate
SMILESCOC(=O)CCN(CC(C)C)C(=O)C1(N)CCOC1
InChIInChI=1S/C13H24N2O4/c1-10(2)8-15(6-4-11(16)18-3)12(17)13(14)5-7-19-9-13/h10H,4-9,14H2,1-3H3
InChIKeyFYPYMQYXWUAGOL-UHFFFAOYSA-N
MW272.34 g/mol
LogP0.15
Rot. Bonds6

About methyl 3-[(3-aminooxolane-3-carbonyl)-(2-methylpropyl)amino]propanoate

methyl 3-[(3-aminooxolane-3-carbonyl)-(2-methylpropyl)amino]propanoate (PubChem CID 64890962) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is methyl 3-[(3-aminooxolane-3-carbonyl)-(2-methylpropyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(3-aminooxolane-3-carbonyl)-(2-methylpropyl)amino]propanoate
PubChem CID64890962
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Namemethyl 3-[(3-aminooxolane-3-carbonyl)-(2-methylpropyl)amino]propanoate
SMILESCOC(=O)CCN(CC(C)C)C(=O)C1(N)CCOC1
InChIInChI=1S/C13H24N2O4/c1-10(2)8-15(6-4-11(16)18-3)12(17)13(14)5-7-19-9-13/h10H,4-9,14H2,1-3H3
InChIKeyFYPYMQYXWUAGOL-UHFFFAOYSA-N
XLogP0.15
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-(2-methoxyethyl)-N-(2-methylpropyl)oxolane-3-carboxamide
CID 64891152
3-amino-N-ethyl-N-(2-methylpropyl)oxolane-3-carboxamide
CID 64892702
3-amino-N-cyclopropyl-N-(3-methylbutyl)oxolane-3-carboxamide
CID 64892755
3-amino-N,N-bis(2-ethoxyethyl)oxolane-3-carboxamide
CID 82966183
3-amino-N-butan-2-yl-N-ethyloxolane-3-carboxamide
CID 64892703
3-amino-N-propan-2-yl-N-propyloxolane-3-carboxamide
CID 64892499
methyl 3-[[(2R)-2-amino-3-methylbutanoyl]-(2-methylpropyl)amino]propanoate
CID 79012450
3-amino-N-(3-methylbutyl)oxolane-3-carboxamide
CID 64892075
4-amino-N-methyl-N-(2-methylpropyl)oxane-4-carboxamide
CID 115293667
1-amino-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)cyclopropane-1-carboxamide
CID 65464903
3-amino-N-(1-hydroxypropan-2-yl)-N-methyloxolane-3-carboxamide
CID 104551711
cis-(1S,2R)-2-[(3-methoxy-3-oxopropyl)-(2-methylpropyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 93378828

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3-aminooxolane-3-carbonyl)-(2-methylpropyl)amino]propanoate?
The IUPAC name of methyl 3-[(3-aminooxolane-3-carbonyl)-(2-methylpropyl)amino]propanoate (CID 64890962) is methyl 3-[(3-aminooxolane-3-carbonyl)-(2-methylpropyl)amino]propanoate.
What is the SMILES notation for methyl 3-[(3-aminooxolane-3-carbonyl)-(2-methylpropyl)amino]propanoate?
The canonical SMILES for methyl 3-[(3-aminooxolane-3-carbonyl)-(2-methylpropyl)amino]propanoate is COC(=O)CCN(CC(C)C)C(=O)C1(N)CCOC1.
What is the InChIKey of methyl 3-[(3-aminooxolane-3-carbonyl)-(2-methylpropyl)amino]propanoate?
The InChIKey is FYPYMQYXWUAGOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-10(2)8-15(6-4-11(16)18-3)12(17)13(14)5-7-19-9-13/h10H,4-9,14H2,1-3H3.
What are the key properties of methyl 3-[(3-aminooxolane-3-carbonyl)-(2-methylpropyl)amino]propanoate?
methyl 3-[(3-aminooxolane-3-carbonyl)-(2-methylpropyl)amino]propanoate has a molecular weight of 272.34 g/mol, XLogP of 0.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3-aminooxolane-3-carbonyl)-(2-methylpropyl)amino]propanoate is sourced from PubChem (CID 64890962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).