2-amino-3-[(3-methoxyoxolan-3-yl)methylamino]propanamide

C9H19N3O3 — CID 103266375

IUPAC2-amino-3-[(3-methoxyoxolan-3-yl)methylamino]propanamide
SMILESCOC1(CNCC(N)C(N)=O)CCOC1
InChIInChI=1S/C9H19N3O3/c1-14-9(2-3-15-6-9)5-12-4-7(10)8(11)13/h7,12H,2-6,10H2,1H3,(H2,11,13)
InChIKeyWEZULWUGORMNJM-UHFFFAOYSA-N
MW217.27 g/mol
LogP-1.81
Rot. Bonds6

About 2-amino-3-[(3-methoxyoxolan-3-yl)methylamino]propanamide

2-amino-3-[(3-methoxyoxolan-3-yl)methylamino]propanamide (PubChem CID 103266375) has the molecular formula C9H19N3O3 and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-amino-3-[(3-methoxyoxolan-3-yl)methylamino]propanamide.

Molecular Properties

Compound Name2-amino-3-[(3-methoxyoxolan-3-yl)methylamino]propanamide
PubChem CID103266375
Molecular FormulaC9H19N3O3
Molecular Weight217.27 g/mol
Exact Mass217.14
IUPAC Name2-amino-3-[(3-methoxyoxolan-3-yl)methylamino]propanamide
SMILESCOC1(CNCC(N)C(N)=O)CCOC1
InChIInChI=1S/C9H19N3O3/c1-14-9(2-3-15-6-9)5-12-4-7(10)8(11)13/h7,12H,2-6,10H2,1H3,(H2,11,13)
InChIKeyWEZULWUGORMNJM-UHFFFAOYSA-N
XLogP-1.81
TPSA99.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 5-1.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-[(3-methoxyoxolan-3-yl)methylamino]-2-methylpropanoate
CID 104760859
2-[(3-methoxyoxolan-3-yl)methylamino]propanamide
CID 104704803
2-amino-N-[(3-methoxyoxolan-3-yl)methyl]butanediamide
CID 113450284
(3-methoxyoxolan-3-yl)methylurea
CID 104704481
1-[(3-methoxyoxolan-3-yl)methylamino]butan-2-ol
CID 104760822
(2S)-2-amino-N-[(3-methoxyoxolan-3-yl)methyl]-4-methylpentanamide
CID 113450272
N-[(3-methoxyoxolan-3-yl)methyl]-2-methylbutan-1-amine
CID 104705079
methyl 3-[(3-methoxyoxolan-3-yl)methylamino]-2-phenylpropanoate
CID 104761009
propan-2-yl 2-[(3-methoxyoxolan-3-yl)methylamino]acetate
CID 104760743
N-[2-[(3-methoxyoxolan-3-yl)methylamino]ethyl]acetamide
CID 107529927
propan-2-yl N-[(3-methoxyoxolan-3-yl)methyl]carbamate
CID 116657841
2-[(3-methoxyoxolan-3-yl)methylamino]-1-pyrrolidin-1-ylethanone
CID 113450182

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[(3-methoxyoxolan-3-yl)methylamino]propanamide?
The IUPAC name of 2-amino-3-[(3-methoxyoxolan-3-yl)methylamino]propanamide (CID 103266375) is 2-amino-3-[(3-methoxyoxolan-3-yl)methylamino]propanamide.
What is the SMILES notation for 2-amino-3-[(3-methoxyoxolan-3-yl)methylamino]propanamide?
The canonical SMILES for 2-amino-3-[(3-methoxyoxolan-3-yl)methylamino]propanamide is COC1(CNCC(N)C(N)=O)CCOC1.
What is the InChIKey of 2-amino-3-[(3-methoxyoxolan-3-yl)methylamino]propanamide?
The InChIKey is WEZULWUGORMNJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O3/c1-14-9(2-3-15-6-9)5-12-4-7(10)8(11)13/h7,12H,2-6,10H2,1H3,(H2,11,13).
What are the key properties of 2-amino-3-[(3-methoxyoxolan-3-yl)methylamino]propanamide?
2-amino-3-[(3-methoxyoxolan-3-yl)methylamino]propanamide has a molecular weight of 217.27 g/mol, XLogP of -1.81, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[(3-methoxyoxolan-3-yl)methylamino]propanamide is sourced from PubChem (CID 103266375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).