2-(4-carbamoyloxyphenyl)acetic acid

C9H9NO4 — CID 54293995

IUPAC2-(4-carbamoyloxyphenyl)acetic acid
SMILESNC(=O)Oc1ccc(CC(=O)O)cc1
InChIInChI=1S/C9H9NO4/c10-9(13)14-7-3-1-6(2-4-7)5-8(11)12/h1-4H,5H2,(H2,10,13)(H,11,12)
InChIKeyVXBBMMUEKYLOBY-UHFFFAOYSA-N
MW195.17 g/mol
LogP0.77
Rot. Bonds3

About 2-(4-carbamoyloxyphenyl)acetic acid

2-(4-carbamoyloxyphenyl)acetic acid (PubChem CID 54293995) has the molecular formula C9H9NO4 and a molecular weight of 195.17 g/mol. Its IUPAC name is 2-(4-carbamoyloxyphenyl)acetic acid.

Molecular Properties

Compound Name2-(4-carbamoyloxyphenyl)acetic acid
PubChem CID54293995
Molecular FormulaC9H9NO4
Molecular Weight195.17 g/mol
Exact Mass195.05
IUPAC Name2-(4-carbamoyloxyphenyl)acetic acid
SMILESNC(=O)Oc1ccc(CC(=O)O)cc1
InChIInChI=1S/C9H9NO4/c10-9(13)14-7-3-1-6(2-4-7)5-8(11)12/h1-4H,5H2,(H2,10,13)(H,11,12)
InChIKeyVXBBMMUEKYLOBY-UHFFFAOYSA-N
XLogP0.77
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.17
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2-hydroxyacetyl)oxyphenyl]acetic acid
CID 117094928
(4-ethylphenyl) carbamate
CID 1269945
2-(4-hydroperoxyphenyl)acetic acid
CID 151534269
2-[4-(3-amino-2,2-dimethylpropoxy)phenyl]acetic acid
CID 117094919
2-[4-[4-(diaminomethylideneamino)phenoxy]phenyl]acetic acid
CID 125329148
[4-(2-aminopropyl)phenyl] carbamate
CID 57045083
[4-[(2R)-2-aminopropyl]phenyl] carbamate
CID 66608683
2-[4-[2,3,5,6-tetradeuterio-4-(diaminomethylideneamino)benzoyl]oxyphenyl]acetic acid
CID 169440803
4-(carboxymethyl)benzenediazonium
CID 12823324
2-[4-[bis(2-chloroethyl)carbamoyloxy]phenyl]acetic acid
CID 21271939
2-[4-(difluoromethoxy)phenyl]acetic acid
CID 2774127
2-[4-(trideuteriomethoxy)phenyl]acetic acid
CID 177182175

Frequently Asked Questions

What is the IUPAC name of 2-(4-carbamoyloxyphenyl)acetic acid?
The IUPAC name of 2-(4-carbamoyloxyphenyl)acetic acid (CID 54293995) is 2-(4-carbamoyloxyphenyl)acetic acid.
What is the SMILES notation for 2-(4-carbamoyloxyphenyl)acetic acid?
The canonical SMILES for 2-(4-carbamoyloxyphenyl)acetic acid is NC(=O)Oc1ccc(CC(=O)O)cc1.
What is the InChIKey of 2-(4-carbamoyloxyphenyl)acetic acid?
The InChIKey is VXBBMMUEKYLOBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO4/c10-9(13)14-7-3-1-6(2-4-7)5-8(11)12/h1-4H,5H2,(H2,10,13)(H,11,12).
What are the key properties of 2-(4-carbamoyloxyphenyl)acetic acid?
2-(4-carbamoyloxyphenyl)acetic acid has a molecular weight of 195.17 g/mol, XLogP of 0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-carbamoyloxyphenyl)acetic acid is sourced from PubChem (CID 54293995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).