methyl 2-cyclopropyl-2-[(3-methoxyoxolan-3-yl)methylamino]acetate

C12H21NO4 — CID 104704764

IUPACmethyl 2-cyclopropyl-2-[(3-methoxyoxolan-3-yl)methylamino]acetate
SMILESCOC(=O)C(NCC1(OC)CCOC1)C1CC1
InChIInChI=1S/C12H21NO4/c1-15-11(14)10(9-3-4-9)13-7-12(16-2)5-6-17-8-12/h9-10,13H,3-8H2,1-2H3
InChIKeyWBTVWDJKVJLNPA-UHFFFAOYSA-N
MW243.30 g/mol
LogP0.33
Rot. Bonds6

About methyl 2-cyclopropyl-2-[(3-methoxyoxolan-3-yl)methylamino]acetate

methyl 2-cyclopropyl-2-[(3-methoxyoxolan-3-yl)methylamino]acetate (PubChem CID 104704764) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is methyl 2-cyclopropyl-2-[(3-methoxyoxolan-3-yl)methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-cyclopropyl-2-[(3-methoxyoxolan-3-yl)methylamino]acetate
PubChem CID104704764
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Namemethyl 2-cyclopropyl-2-[(3-methoxyoxolan-3-yl)methylamino]acetate
SMILESCOC(=O)C(NCC1(OC)CCOC1)C1CC1
InChIInChI=1S/C12H21NO4/c1-15-11(14)10(9-3-4-9)13-7-12(16-2)5-6-17-8-12/h9-10,13H,3-8H2,1-2H3
InChIKeyWBTVWDJKVJLNPA-UHFFFAOYSA-N
XLogP0.33
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-methoxyoxolan-3-yl)methylamino]propanamide
CID 104704803
propan-2-yl N-[(3-methoxyoxolan-3-yl)methyl]carbamate
CID 116657841
(3-methoxyoxolan-3-yl)methylurea
CID 104704481
4-[(3-methoxyoxolan-3-yl)methylamino]pentanoic acid
CID 104759780
2-amino-N-[(3-methoxyoxolan-3-yl)methyl]acetamide
CID 104761415
propan-2-yl 2-[(3-methoxyoxolan-3-yl)methylamino]acetate
CID 104760743
N'-hydroxy-2-[(3-methoxyoxolan-3-yl)methylamino]propanimidamide
CID 104762099
N-[(3-methoxyoxolan-3-yl)methyl]-2-(propan-2-ylamino)acetamide
CID 104761435
2-amino-3-[(3-methoxyoxolan-3-yl)methylamino]propanamide
CID 103266375
N-[(3-methoxyoxolan-3-yl)methyl]-1-(oxan-4-yl)methanamine
CID 104704975
3-methoxy-N-[(3-methoxyoxolan-3-yl)methyl]butan-2-amine
CID 104705834
1,1-dimethoxy-N-[(3-methoxyoxolan-3-yl)methyl]propan-2-amine
CID 104759779

Frequently Asked Questions

What is the IUPAC name of methyl 2-cyclopropyl-2-[(3-methoxyoxolan-3-yl)methylamino]acetate?
The IUPAC name of methyl 2-cyclopropyl-2-[(3-methoxyoxolan-3-yl)methylamino]acetate (CID 104704764) is methyl 2-cyclopropyl-2-[(3-methoxyoxolan-3-yl)methylamino]acetate.
What is the SMILES notation for methyl 2-cyclopropyl-2-[(3-methoxyoxolan-3-yl)methylamino]acetate?
The canonical SMILES for methyl 2-cyclopropyl-2-[(3-methoxyoxolan-3-yl)methylamino]acetate is COC(=O)C(NCC1(OC)CCOC1)C1CC1.
What is the InChIKey of methyl 2-cyclopropyl-2-[(3-methoxyoxolan-3-yl)methylamino]acetate?
The InChIKey is WBTVWDJKVJLNPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4/c1-15-11(14)10(9-3-4-9)13-7-12(16-2)5-6-17-8-12/h9-10,13H,3-8H2,1-2H3.
What are the key properties of methyl 2-cyclopropyl-2-[(3-methoxyoxolan-3-yl)methylamino]acetate?
methyl 2-cyclopropyl-2-[(3-methoxyoxolan-3-yl)methylamino]acetate has a molecular weight of 243.30 g/mol, XLogP of 0.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyclopropyl-2-[(3-methoxyoxolan-3-yl)methylamino]acetate is sourced from PubChem (CID 104704764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).