2-amino-N-(2-methyloxolan-3-yl)butanediamide

C9H17N3O3 — CID 82729118

IUPAC2-amino-N-(2-methyloxolan-3-yl)butanediamide
SMILESCC1OCCC1NC(=O)C(N)CC(N)=O
InChIInChI=1S/C9H17N3O3/c1-5-7(2-3-15-5)12-9(14)6(10)4-8(11)13/h5-7H,2-4,10H2,1H3,(H2,11,13)(H,12,14)
InChIKeyVIMKOGCZQQZUBL-UHFFFAOYSA-N
MW215.25 g/mol
LogP-1.52
Rot. Bonds4

About 2-amino-N-(2-methyloxolan-3-yl)butanediamide

2-amino-N-(2-methyloxolan-3-yl)butanediamide (PubChem CID 82729118) has the molecular formula C9H17N3O3 and a molecular weight of 215.25 g/mol. Its IUPAC name is 2-amino-N-(2-methyloxolan-3-yl)butanediamide.

Molecular Properties

Compound Name2-amino-N-(2-methyloxolan-3-yl)butanediamide
PubChem CID82729118
Molecular FormulaC9H17N3O3
Molecular Weight215.25 g/mol
Exact Mass215.13
IUPAC Name2-amino-N-(2-methyloxolan-3-yl)butanediamide
SMILESCC1OCCC1NC(=O)C(N)CC(N)=O
InChIInChI=1S/C9H17N3O3/c1-5-7(2-3-15-5)12-9(14)6(10)4-8(11)13/h5-7H,2-4,10H2,1H3,(H2,11,13)(H,12,14)
InChIKeyVIMKOGCZQQZUBL-UHFFFAOYSA-N
XLogP-1.52
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 5-1.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-methyloxolan-3-yl)butanediamide?
The IUPAC name of 2-amino-N-(2-methyloxolan-3-yl)butanediamide (CID 82729118) is 2-amino-N-(2-methyloxolan-3-yl)butanediamide.
What is the SMILES notation for 2-amino-N-(2-methyloxolan-3-yl)butanediamide?
The canonical SMILES for 2-amino-N-(2-methyloxolan-3-yl)butanediamide is CC1OCCC1NC(=O)C(N)CC(N)=O.
What is the InChIKey of 2-amino-N-(2-methyloxolan-3-yl)butanediamide?
The InChIKey is VIMKOGCZQQZUBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O3/c1-5-7(2-3-15-5)12-9(14)6(10)4-8(11)13/h5-7H,2-4,10H2,1H3,(H2,11,13)(H,12,14).
What are the key properties of 2-amino-N-(2-methyloxolan-3-yl)butanediamide?
2-amino-N-(2-methyloxolan-3-yl)butanediamide has a molecular weight of 215.25 g/mol, XLogP of -1.52, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-methyloxolan-3-yl)butanediamide is sourced from PubChem (CID 82729118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).