2-[5-carbamoyl-9-(cyclobutylmethyl)carbazol-4-yl]oxyacetic acid

C20H20N2O4 — CID 22741302

IUPAC2-[5-carbamoyl-9-(cyclobutylmethyl)carbazol-4-yl]oxyacetic acid
SMILESNC(=O)c1cccc2c1c1c(OCC(=O)O)cccc1n2CC1CCC1
InChIInChI=1S/C20H20N2O4/c21-20(25)13-6-2-7-14-18(13)19-15(22(14)10-12-4-1-5-12)8-3-9-16(19)26-11-17(23)24/h2-3,6-9,12H,1,4-5,10-11H2,(H2,21,25)(H,23,24)
InChIKeyRYJAVNHHUSHYFS-UHFFFAOYSA-N
MW352.39 g/mol
LogP3.16
Rot. Bonds6

About 2-[5-carbamoyl-9-(cyclobutylmethyl)carbazol-4-yl]oxyacetic acid

2-[5-carbamoyl-9-(cyclobutylmethyl)carbazol-4-yl]oxyacetic acid (PubChem CID 22741302) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is 2-[5-carbamoyl-9-(cyclobutylmethyl)carbazol-4-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[5-carbamoyl-9-(cyclobutylmethyl)carbazol-4-yl]oxyacetic acid
PubChem CID22741302
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Name2-[5-carbamoyl-9-(cyclobutylmethyl)carbazol-4-yl]oxyacetic acid
SMILESNC(=O)c1cccc2c1c1c(OCC(=O)O)cccc1n2CC1CCC1
InChIInChI=1S/C20H20N2O4/c21-20(25)13-6-2-7-14-18(13)19-15(22(14)10-12-4-1-5-12)8-3-9-16(19)26-11-17(23)24/h2-3,6-9,12H,1,4-5,10-11H2,(H2,21,25)(H,23,24)
InChIKeyRYJAVNHHUSHYFS-UHFFFAOYSA-N
XLogP3.16
TPSA94.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

sodium 2-[5-carbamoyl-9-(cyclohexylmethyl)carbazol-4-yl]oxyacetate
CID 25034675
2-[5-carbamoyl-9-(3-phenylpropyl)carbazol-4-yl]oxyacetic acid
CID 22740410
2-[5-carbamoyl-9-[(3-iodophenyl)methyl]carbazol-4-yl]oxyacetic acid
CID 10207176
2-[5-carbamoyl-9-(1-piperidin-2-ylethyl)carbazol-4-yl]oxyacetic acid
CID 22740925
2-[5-carbamoyl-9-[2-(2,3-difluorophenyl)ethyl]carbazol-4-yl]oxyacetic acid
CID 154451965
2-[5-carbamoyl-9-(1-ethylpyrrolidin-3-yl)carbazol-4-yl]oxyacetic acid
CID 22740495
2-[1-[(3-methoxycyclohexyl)methyl]-2-methyl-3-oxamoylindol-4-yl]oxyacetic acid
CID 143459697
ethane;5-ethoxy-9-ethylcarbazole-4-carboxamide
CID 91519432
2-[[2-(9-benzyl-5-carbamoylcarbazol-4-yl)oxyacetyl]amino]acetic acid
CID 10137599
ethyl 2-(9-benzyl-5-carbamoylcarbazol-4-yl)oxyacetate
CID 10135735
2-[5-carbamoyl-2-ethyl-9-[(2-phenoxyphenyl)methyl]carbazol-4-yl]oxyacetic acid
CID 21264313
methyl 2-[5-cyano-9-(cyclohexylmethyl)carbazol-4-yl]oxyacetate
CID 101389392

Frequently Asked Questions

What is the IUPAC name of 2-[5-carbamoyl-9-(cyclobutylmethyl)carbazol-4-yl]oxyacetic acid?
The IUPAC name of 2-[5-carbamoyl-9-(cyclobutylmethyl)carbazol-4-yl]oxyacetic acid (CID 22741302) is 2-[5-carbamoyl-9-(cyclobutylmethyl)carbazol-4-yl]oxyacetic acid.
What is the SMILES notation for 2-[5-carbamoyl-9-(cyclobutylmethyl)carbazol-4-yl]oxyacetic acid?
The canonical SMILES for 2-[5-carbamoyl-9-(cyclobutylmethyl)carbazol-4-yl]oxyacetic acid is NC(=O)c1cccc2c1c1c(OCC(=O)O)cccc1n2CC1CCC1.
What is the InChIKey of 2-[5-carbamoyl-9-(cyclobutylmethyl)carbazol-4-yl]oxyacetic acid?
The InChIKey is RYJAVNHHUSHYFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c21-20(25)13-6-2-7-14-18(13)19-15(22(14)10-12-4-1-5-12)8-3-9-16(19)26-11-17(23)24/h2-3,6-9,12H,1,4-5,10-11H2,(H2,21,25)(H,23,24).
What are the key properties of 2-[5-carbamoyl-9-(cyclobutylmethyl)carbazol-4-yl]oxyacetic acid?
2-[5-carbamoyl-9-(cyclobutylmethyl)carbazol-4-yl]oxyacetic acid has a molecular weight of 352.39 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-carbamoyl-9-(cyclobutylmethyl)carbazol-4-yl]oxyacetic acid is sourced from PubChem (CID 22741302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).