4-[[2-(2-chlorophenyl)acetyl]amino]oxane-4-carboxylic acid

C14H16ClNO4 — CID 115291582

IUPAC4-[[2-(2-chlorophenyl)acetyl]amino]oxane-4-carboxylic acid
SMILESO=C(Cc1ccccc1Cl)NC1(C(=O)O)CCOCC1
InChIInChI=1S/C14H16ClNO4/c15-11-4-2-1-3-10(11)9-12(17)16-14(13(18)19)5-7-20-8-6-14/h1-4H,5-9H2,(H,16,17)(H,18,19)
InChIKeyCMUBRXBBIXXJQZ-UHFFFAOYSA-N
MW297.74 g/mol
LogP1.63
Rot. Bonds4

About 4-[[2-(2-chlorophenyl)acetyl]amino]oxane-4-carboxylic acid

4-[[2-(2-chlorophenyl)acetyl]amino]oxane-4-carboxylic acid (PubChem CID 115291582) has the molecular formula C14H16ClNO4 and a molecular weight of 297.74 g/mol. Its IUPAC name is 4-[[2-(2-chlorophenyl)acetyl]amino]oxane-4-carboxylic acid.

Molecular Properties

Compound Name4-[[2-(2-chlorophenyl)acetyl]amino]oxane-4-carboxylic acid
PubChem CID115291582
Molecular FormulaC14H16ClNO4
Molecular Weight297.74 g/mol
Exact Mass297.08
IUPAC Name4-[[2-(2-chlorophenyl)acetyl]amino]oxane-4-carboxylic acid
SMILESO=C(Cc1ccccc1Cl)NC1(C(=O)O)CCOCC1
InChIInChI=1S/C14H16ClNO4/c15-11-4-2-1-3-10(11)9-12(17)16-14(13(18)19)5-7-20-8-6-14/h1-4H,5-9H2,(H,16,17)(H,18,19)
InChIKeyCMUBRXBBIXXJQZ-UHFFFAOYSA-N
XLogP1.63
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.74
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(2-chlorophenyl)propanoylamino]oxane-4-carboxylic acid
CID 115291777
4-[(2-chlorophenyl)methylamino]oxane-4-carboxylic acid;hydrochloride
CID 71432484
4-[[2-[2-(aminomethyl)phenyl]acetyl]amino]oxane-4-carboxylic acid
CID 115292476
4-[3-(2-methylphenyl)propanoylamino]oxane-4-carboxylic acid
CID 115291472
1-[[2-(2-hydroxyphenyl)acetyl]amino]cyclopropane-1-carboxylic acid
CID 80740936
4-[[2-(3-bromophenyl)acetyl]amino]oxane-4-carboxylic acid
CID 115291429
N-(1-carbamothioylcycloheptyl)-2-(2-chlorophenyl)acetamide
CID 61119572
3-(2-chloroanilino)oxolane-3-carboxylic acid
CID 63333124
1-[[2-(2-fluorophenyl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 43329539
4-(2-ethylanilino)oxane-4-carboxylic acid
CID 114992560
1-[[2-[2-(trifluoromethyl)phenyl]acetyl]amino]cyclopropane-1-carboxylic acid
CID 75483399
3-[[2-(1H-indol-3-yl)acetyl]amino]oxolane-3-carboxylic acid
CID 64890196

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-chlorophenyl)acetyl]amino]oxane-4-carboxylic acid?
The IUPAC name of 4-[[2-(2-chlorophenyl)acetyl]amino]oxane-4-carboxylic acid (CID 115291582) is 4-[[2-(2-chlorophenyl)acetyl]amino]oxane-4-carboxylic acid.
What is the SMILES notation for 4-[[2-(2-chlorophenyl)acetyl]amino]oxane-4-carboxylic acid?
The canonical SMILES for 4-[[2-(2-chlorophenyl)acetyl]amino]oxane-4-carboxylic acid is O=C(Cc1ccccc1Cl)NC1(C(=O)O)CCOCC1.
What is the InChIKey of 4-[[2-(2-chlorophenyl)acetyl]amino]oxane-4-carboxylic acid?
The InChIKey is CMUBRXBBIXXJQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO4/c15-11-4-2-1-3-10(11)9-12(17)16-14(13(18)19)5-7-20-8-6-14/h1-4H,5-9H2,(H,16,17)(H,18,19).
What are the key properties of 4-[[2-(2-chlorophenyl)acetyl]amino]oxane-4-carboxylic acid?
4-[[2-(2-chlorophenyl)acetyl]amino]oxane-4-carboxylic acid has a molecular weight of 297.74 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-chlorophenyl)acetyl]amino]oxane-4-carboxylic acid is sourced from PubChem (CID 115291582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).