3-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]oxolane-3-carboxamide

C13H17N3O4 — CID 64891125

IUPAC3-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]oxolane-3-carboxamide
SMILESNC(=O)COc1cccc(NC(=O)C2(N)CCOC2)c1
InChIInChI=1S/C13H17N3O4/c14-11(17)7-20-10-3-1-2-9(6-10)16-12(18)13(15)4-5-19-8-13/h1-3,6H,4-5,7-8,15H2,(H2,14,17)(H,16,18)
InChIKeyUEHLMYAVGBZSJU-UHFFFAOYSA-N
MW279.30 g/mol
LogP-0.39
Rot. Bonds5

About 3-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]oxolane-3-carboxamide

3-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]oxolane-3-carboxamide (PubChem CID 64891125) has the molecular formula C13H17N3O4 and a molecular weight of 279.30 g/mol. Its IUPAC name is 3-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name3-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]oxolane-3-carboxamide
PubChem CID64891125
Molecular FormulaC13H17N3O4
Molecular Weight279.30 g/mol
Exact Mass279.12
IUPAC Name3-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]oxolane-3-carboxamide
SMILESNC(=O)COc1cccc(NC(=O)C2(N)CCOC2)c1
InChIInChI=1S/C13H17N3O4/c14-11(17)7-20-10-3-1-2-9(6-10)16-12(18)13(15)4-5-19-8-13/h1-3,6H,4-5,7-8,15H2,(H2,14,17)(H,16,18)
InChIKeyUEHLMYAVGBZSJU-UHFFFAOYSA-N
XLogP-0.39
TPSA116.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[4-(2-amino-2-oxoethoxy)phenyl]oxolane-3-carboxamide
CID 64891525
1-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119702073
1-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]cyclopentane-1-carboxamide
CID 60852261
4-amino-N-(3-methoxyphenyl)oxane-4-carboxamide
CID 115293571
4-amino-N-[3-(cyanomethoxy)phenyl]oxane-4-carboxamide
CID 115293964
3-amino-N-[3-(methoxymethyl)phenyl]oxolane-3-carboxamide
CID 64894149
2-[3-[(1-aminocyclobutanecarbonyl)amino]phenoxy]acetic acid
CID 81169639
3-amino-N-(3-pyrrol-1-ylphenyl)oxolane-3-carboxamide
CID 64893967
3-amino-N-(3-ethoxy-4-methoxyphenyl)oxolane-3-carboxamide
CID 64892534
4-amino-N-(3-butan-2-yloxyphenyl)oxane-4-carboxamide
CID 115294807
3-amino-N-(4-carbamoylphenyl)oxolane-3-carboxamide
CID 64891880
3-amino-N-(3,4-diethoxyphenyl)oxolane-3-carboxamide
CID 64892076

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]oxolane-3-carboxamide?
The IUPAC name of 3-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]oxolane-3-carboxamide (CID 64891125) is 3-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]oxolane-3-carboxamide.
What is the SMILES notation for 3-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]oxolane-3-carboxamide?
The canonical SMILES for 3-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]oxolane-3-carboxamide is NC(=O)COc1cccc(NC(=O)C2(N)CCOC2)c1.
What is the InChIKey of 3-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]oxolane-3-carboxamide?
The InChIKey is UEHLMYAVGBZSJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4/c14-11(17)7-20-10-3-1-2-9(6-10)16-12(18)13(15)4-5-19-8-13/h1-3,6H,4-5,7-8,15H2,(H2,14,17)(H,16,18).
What are the key properties of 3-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]oxolane-3-carboxamide?
3-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]oxolane-3-carboxamide has a molecular weight of 279.30 g/mol, XLogP of -0.39, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]oxolane-3-carboxamide is sourced from PubChem (CID 64891125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).