5-[[(2-chlorofuran-3-carbonyl)amino]methyl]oxolane-2-carboxylic acid

C11H12ClNO5 — CID 106683549

IUPAC5-[[(2-chlorofuran-3-carbonyl)amino]methyl]oxolane-2-carboxylic acid
SMILESO=C(NCC1CCC(C(=O)O)O1)c1ccoc1Cl
InChIInChI=1S/C11H12ClNO5/c12-9-7(3-4-17-9)10(14)13-5-6-1-2-8(18-6)11(15)16/h3-4,6,8H,1-2,5H2,(H,13,14)(H,15,16)
InChIKeyYUWUCKUQIQNZAO-UHFFFAOYSA-N
MW273.67 g/mol
LogP1.29
Rot. Bonds4

About 5-[[(2-chlorofuran-3-carbonyl)amino]methyl]oxolane-2-carboxylic acid

5-[[(2-chlorofuran-3-carbonyl)amino]methyl]oxolane-2-carboxylic acid (PubChem CID 106683549) has the molecular formula C11H12ClNO5 and a molecular weight of 273.67 g/mol. Its IUPAC name is 5-[[(2-chlorofuran-3-carbonyl)amino]methyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-[[(2-chlorofuran-3-carbonyl)amino]methyl]oxolane-2-carboxylic acid
PubChem CID106683549
Molecular FormulaC11H12ClNO5
Molecular Weight273.67 g/mol
Exact Mass273.04
IUPAC Name5-[[(2-chlorofuran-3-carbonyl)amino]methyl]oxolane-2-carboxylic acid
SMILESO=C(NCC1CCC(C(=O)O)O1)c1ccoc1Cl
InChIInChI=1S/C11H12ClNO5/c12-9-7(3-4-17-9)10(14)13-5-6-1-2-8(18-6)11(15)16/h3-4,6,8H,1-2,5H2,(H,13,14)(H,15,16)
InChIKeyYUWUCKUQIQNZAO-UHFFFAOYSA-N
XLogP1.29
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.67
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(cyclobutylmethyl)furan-3-carboxamide
CID 106685401
5-[[(2-bromo-3-methylbenzoyl)amino]methyl]oxolane-2-carboxylic acid
CID 107981508
N-[(3-bromocyclohexyl)methyl]-2-chlorofuran-3-carboxamide
CID 106132945
5-[[(2,5-dibromothiophene-3-carbonyl)amino]methyl]oxolane-2-carboxylic acid
CID 107949352
2-chloro-N-(2-chloro-2-cyclopropylethyl)furan-3-carboxamide
CID 106690017
5-[[(4-bromo-2-methoxybenzoyl)amino]methyl]oxolane-2-carboxylic acid
CID 115368693
2-chloro-N-[2-(cyclopropanecarbonylamino)ethyl]furan-3-carboxamide
CID 106687261
N-(2-amino-2-cyclopropylethyl)-2-chlorofuran-3-carboxamide
CID 106688585
N-(azetidin-3-yl)-2-chlorofuran-3-carboxamide
CID 106688544
2-chloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]furan-3-carboxamide
CID 106687086
5-[(2,3-dihydro-1H-indene-2-carbonylamino)methyl]oxolane-2-carboxylic acid
CID 106892442
5-[[(2-aminobenzoyl)amino]methyl]oxolane-2-carboxamide
CID 119946036

Frequently Asked Questions

What is the IUPAC name of 5-[[(2-chlorofuran-3-carbonyl)amino]methyl]oxolane-2-carboxylic acid?
The IUPAC name of 5-[[(2-chlorofuran-3-carbonyl)amino]methyl]oxolane-2-carboxylic acid (CID 106683549) is 5-[[(2-chlorofuran-3-carbonyl)amino]methyl]oxolane-2-carboxylic acid.
What is the SMILES notation for 5-[[(2-chlorofuran-3-carbonyl)amino]methyl]oxolane-2-carboxylic acid?
The canonical SMILES for 5-[[(2-chlorofuran-3-carbonyl)amino]methyl]oxolane-2-carboxylic acid is O=C(NCC1CCC(C(=O)O)O1)c1ccoc1Cl.
What is the InChIKey of 5-[[(2-chlorofuran-3-carbonyl)amino]methyl]oxolane-2-carboxylic acid?
The InChIKey is YUWUCKUQIQNZAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO5/c12-9-7(3-4-17-9)10(14)13-5-6-1-2-8(18-6)11(15)16/h3-4,6,8H,1-2,5H2,(H,13,14)(H,15,16).
What are the key properties of 5-[[(2-chlorofuran-3-carbonyl)amino]methyl]oxolane-2-carboxylic acid?
5-[[(2-chlorofuran-3-carbonyl)amino]methyl]oxolane-2-carboxylic acid has a molecular weight of 273.67 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2-chlorofuran-3-carbonyl)amino]methyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 106683549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).