2-amino-N-[(3-methoxyoxolan-3-yl)methyl]butanediamide

C10H19N3O4 — CID 113450284

IUPAC2-amino-N-[(3-methoxyoxolan-3-yl)methyl]butanediamide
SMILESCOC1(CNC(=O)C(N)CC(N)=O)CCOC1
InChIInChI=1S/C10H19N3O4/c1-16-10(2-3-17-6-10)5-13-9(15)7(11)4-8(12)14/h7H,2-6,11H2,1H3,(H2,12,14)(H,13,15)
InChIKeyXEHGQETYJRHTAL-UHFFFAOYSA-N
MW245.28 g/mol
LogP-1.89
Rot. Bonds6

About 2-amino-N-[(3-methoxyoxolan-3-yl)methyl]butanediamide

2-amino-N-[(3-methoxyoxolan-3-yl)methyl]butanediamide (PubChem CID 113450284) has the molecular formula C10H19N3O4 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-amino-N-[(3-methoxyoxolan-3-yl)methyl]butanediamide.

Molecular Properties

Compound Name2-amino-N-[(3-methoxyoxolan-3-yl)methyl]butanediamide
PubChem CID113450284
Molecular FormulaC10H19N3O4
Molecular Weight245.28 g/mol
Exact Mass245.14
IUPAC Name2-amino-N-[(3-methoxyoxolan-3-yl)methyl]butanediamide
SMILESCOC1(CNC(=O)C(N)CC(N)=O)CCOC1
InChIInChI=1S/C10H19N3O4/c1-16-10(2-3-17-6-10)5-13-9(15)7(11)4-8(12)14/h7H,2-6,11H2,1H3,(H2,12,14)(H,13,15)
InChIKeyXEHGQETYJRHTAL-UHFFFAOYSA-N
XLogP-1.89
TPSA116.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 5-1.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-N-[(3-methoxyoxolan-3-yl)methyl]-4-methylpentanamide
CID 113450272
(3-methoxyoxolan-3-yl)methylurea
CID 104704481
N-[(3-methoxyoxolan-3-yl)methyl]-2-(methylamino)propanamide
CID 104761397
2-amino-3-[(3-methoxyoxolan-3-yl)methylamino]propanamide
CID 103266375
propan-2-yl N-[(3-methoxyoxolan-3-yl)methyl]carbamate
CID 116657841
2-(N'-hydroxycarbamimidoyl)-N-[(3-methoxyoxolan-3-yl)methyl]-3-methylbutanamide
CID 104764646
2-amino-N-[(4-methyloxan-4-yl)methyl]butanediamide
CID 103827766
2-amino-N-[(3-methoxyoxolan-3-yl)methyl]acetamide
CID 104761415
2-[(3-methoxyoxolan-3-yl)methylcarbamoyl]-3,3-dimethylbutanoic acid
CID 116537472
2-[(3-methoxyoxolan-3-yl)methylamino]propanamide
CID 104704803
1-carbamothioyl-N-[(3-methoxyoxolan-3-yl)methyl]cyclopropane-1-carboxamide
CID 104761733
2-acetamido-N-[(3-methoxyoxolan-3-yl)methyl]-3-sulfanylpropanamide
CID 107769857

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3-methoxyoxolan-3-yl)methyl]butanediamide?
The IUPAC name of 2-amino-N-[(3-methoxyoxolan-3-yl)methyl]butanediamide (CID 113450284) is 2-amino-N-[(3-methoxyoxolan-3-yl)methyl]butanediamide.
What is the SMILES notation for 2-amino-N-[(3-methoxyoxolan-3-yl)methyl]butanediamide?
The canonical SMILES for 2-amino-N-[(3-methoxyoxolan-3-yl)methyl]butanediamide is COC1(CNC(=O)C(N)CC(N)=O)CCOC1.
What is the InChIKey of 2-amino-N-[(3-methoxyoxolan-3-yl)methyl]butanediamide?
The InChIKey is XEHGQETYJRHTAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O4/c1-16-10(2-3-17-6-10)5-13-9(15)7(11)4-8(12)14/h7H,2-6,11H2,1H3,(H2,12,14)(H,13,15).
What are the key properties of 2-amino-N-[(3-methoxyoxolan-3-yl)methyl]butanediamide?
2-amino-N-[(3-methoxyoxolan-3-yl)methyl]butanediamide has a molecular weight of 245.28 g/mol, XLogP of -1.89, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(3-methoxyoxolan-3-yl)methyl]butanediamide is sourced from PubChem (CID 113450284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).