2-[3-[(4-methoxy-1,1-dioxothiolan-3-yl)carbamoyl]phenoxy]acetic acid

C14H17NO7S — CID 136552214

IUPAC2-[3-[(4-methoxy-1,1-dioxothiolan-3-yl)carbamoyl]phenoxy]acetic acid
SMILESCOC1CS(=O)(=O)CC1NC(=O)c1cccc(OCC(=O)O)c1
InChIInChI=1S/C14H17NO7S/c1-21-12-8-23(19,20)7-11(12)15-14(18)9-3-2-4-10(5-9)22-6-13(16)17/h2-5,11-12H,6-8H2,1H3,(H,15,18)(H,16,17)
InChIKeyXOOWSKDHIXBVPT-UHFFFAOYSA-N
MW343.36 g/mol
LogP-0.31
Rot. Bonds6

About 2-[3-[(4-methoxy-1,1-dioxothiolan-3-yl)carbamoyl]phenoxy]acetic acid

2-[3-[(4-methoxy-1,1-dioxothiolan-3-yl)carbamoyl]phenoxy]acetic acid (PubChem CID 136552214) has the molecular formula C14H17NO7S and a molecular weight of 343.36 g/mol. Its IUPAC name is 2-[3-[(4-methoxy-1,1-dioxothiolan-3-yl)carbamoyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-[(4-methoxy-1,1-dioxothiolan-3-yl)carbamoyl]phenoxy]acetic acid
PubChem CID136552214
Molecular FormulaC14H17NO7S
Molecular Weight343.36 g/mol
Exact Mass343.07
IUPAC Name2-[3-[(4-methoxy-1,1-dioxothiolan-3-yl)carbamoyl]phenoxy]acetic acid
SMILESCOC1CS(=O)(=O)CC1NC(=O)c1cccc(OCC(=O)O)c1
InChIInChI=1S/C14H17NO7S/c1-21-12-8-23(19,20)7-11(12)15-14(18)9-3-2-4-10(5-9)22-6-13(16)17/h2-5,11-12H,6-8H2,1H3,(H,15,18)(H,16,17)
InChIKeyXOOWSKDHIXBVPT-UHFFFAOYSA-N
XLogP-0.31
TPSA119.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[3-[(4-methoxy-1,1-dioxothiolan-3-yl)carbamoyl]phenoxy]acetic acid with MolForge

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Related Compounds

N-(4-chloro-1,1-dioxothiolan-3-yl)-3-propoxybenzamide
CID 115338841
2-[3-(2-methoxyethylcarbamoyl)phenoxy]acetic acid
CID 28762787
2-[3-[(2,2-diethyl-3-methoxy-4-methylcyclobutyl)carbamoyl]phenoxy]acetic acid
CID 120552545
2-[3-[(3-methoxy-2,2,4-trimethylcyclobutyl)carbamoyl]phenoxy]acetic acid
CID 120552693
2-[3-[(2-benzylcyclopentyl)carbamoyl]phenoxy]acetic acid
CID 119185869
2-[3-[(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl]phenoxy]acetic acid
CID 120550972
N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-3-[2-(methylamino)ethoxy]benzamide
CID 110145684
2-[3-[(1-cyclopropylcyclobutyl)methylcarbamoyl]phenoxy]acetic acid
CID 120699051
N-(3-hydroxycyclobutyl)-3-(2-methoxyethoxy)benzamide
CID 126818884
N-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-ethoxybenzamide
CID 155914260
trans-(1S,2S)-2-[[3-(3-methoxypropoxy)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 97324364
2-[3-[(8-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)carbamoyl]phenoxy]acetic acid
CID 120552679

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-methoxy-1,1-dioxothiolan-3-yl)carbamoyl]phenoxy]acetic acid?
The IUPAC name of 2-[3-[(4-methoxy-1,1-dioxothiolan-3-yl)carbamoyl]phenoxy]acetic acid (CID 136552214) is 2-[3-[(4-methoxy-1,1-dioxothiolan-3-yl)carbamoyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[3-[(4-methoxy-1,1-dioxothiolan-3-yl)carbamoyl]phenoxy]acetic acid?
The canonical SMILES for 2-[3-[(4-methoxy-1,1-dioxothiolan-3-yl)carbamoyl]phenoxy]acetic acid is COC1CS(=O)(=O)CC1NC(=O)c1cccc(OCC(=O)O)c1.
What is the InChIKey of 2-[3-[(4-methoxy-1,1-dioxothiolan-3-yl)carbamoyl]phenoxy]acetic acid?
The InChIKey is XOOWSKDHIXBVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO7S/c1-21-12-8-23(19,20)7-11(12)15-14(18)9-3-2-4-10(5-9)22-6-13(16)17/h2-5,11-12H,6-8H2,1H3,(H,15,18)(H,16,17).
What are the key properties of 2-[3-[(4-methoxy-1,1-dioxothiolan-3-yl)carbamoyl]phenoxy]acetic acid?
2-[3-[(4-methoxy-1,1-dioxothiolan-3-yl)carbamoyl]phenoxy]acetic acid has a molecular weight of 343.36 g/mol, XLogP of -0.31, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4-methoxy-1,1-dioxothiolan-3-yl)carbamoyl]phenoxy]acetic acid is sourced from PubChem (CID 136552214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).