sodium 2-[5-carbamoyl-9-(cyclohexylmethyl)carbazol-4-yl]oxyacetate

C22H23N2NaO4 — CID 25034675

IUPACsodium 2-[5-carbamoyl-9-(cyclohexylmethyl)carbazol-4-yl]oxyacetate
SMILESNC(=O)c1cccc2c1c1c(OCC(=O)[O-])cccc1n2CC1CCCCC1.[Na+]
InChIInChI=1S/C22H24N2O4.Na/c23-22(27)15-8-4-9-16-20(15)21-17(10-5-11-18(21)28-13-19(25)26)24(16)12-14-6-2-1-3-7-14;/h4-5,8-11,14H,1-3,6-7,12-13H2,(H2,23,27)(H,25,26);/q;+1/p-1
InChIKeyBLFXZBSKMMWZJH-UHFFFAOYSA-M
MW402.43 g/mol
LogP-0.39
Rot. Bonds6

About sodium 2-[5-carbamoyl-9-(cyclohexylmethyl)carbazol-4-yl]oxyacetate

sodium 2-[5-carbamoyl-9-(cyclohexylmethyl)carbazol-4-yl]oxyacetate (PubChem CID 25034675) has the molecular formula C22H23N2NaO4 and a molecular weight of 402.43 g/mol. Its IUPAC name is sodium 2-[5-carbamoyl-9-(cyclohexylmethyl)carbazol-4-yl]oxyacetate.

Molecular Properties

Compound Namesodium 2-[5-carbamoyl-9-(cyclohexylmethyl)carbazol-4-yl]oxyacetate
PubChem CID25034675
Molecular FormulaC22H23N2NaO4
Molecular Weight402.43 g/mol
Exact Mass402.16
IUPAC Namesodium 2-[5-carbamoyl-9-(cyclohexylmethyl)carbazol-4-yl]oxyacetate
SMILESNC(=O)c1cccc2c1c1c(OCC(=O)[O-])cccc1n2CC1CCCCC1.[Na+]
InChIInChI=1S/C22H24N2O4.Na/c23-22(27)15-8-4-9-16-20(15)21-17(10-5-11-18(21)28-13-19(25)26)24(16)12-14-6-2-1-3-7-14;/h4-5,8-11,14H,1-3,6-7,12-13H2,(H2,23,27)(H,25,26);/q;+1/p-1
InChIKeyBLFXZBSKMMWZJH-UHFFFAOYSA-M
XLogP-0.39
TPSA97.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.43
LogP ≤ 5-0.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-carbamoyl-9-(cyclobutylmethyl)carbazol-4-yl]oxyacetic acid
CID 22741302
sodium 2-[5-carbamoyl-9-[(3,5-dimethylphenyl)methyl]carbazol-4-yl]oxyacetate
CID 21304071
sodium 2-[5-carbamoyl-9-[(2,3-difluorophenyl)methyl]carbazol-4-yl]oxyacetate
CID 21304067
methyl 2-[5-cyano-9-(cyclohexylmethyl)carbazol-4-yl]oxyacetate
CID 101389392
ethyl 2-(9-benzyl-5-carbamoylcarbazol-4-yl)oxyacetate
CID 10135735
2-[5-carbamoyl-9-(1-piperidin-2-ylethyl)carbazol-4-yl]oxyacetic acid
CID 22740925
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
9-(cyclopropylmethyl)-7-ethylcarbazole-4-carboxamide
CID 174418330
2-[5-carbamoyl-9-(1-ethylpyrrolidin-3-yl)carbazol-4-yl]oxyacetic acid
CID 22740495
9-(cyclobutylmethyl)-7-thiophen-2-ylcarbazole-4-carboxamide
CID 174399494
2-[[2-(9-benzyl-5-carbamoylcarbazol-4-yl)oxyacetyl]amino]acetic acid
CID 10137599

Frequently Asked Questions

What is the IUPAC name of sodium 2-[5-carbamoyl-9-(cyclohexylmethyl)carbazol-4-yl]oxyacetate?
The IUPAC name of sodium 2-[5-carbamoyl-9-(cyclohexylmethyl)carbazol-4-yl]oxyacetate (CID 25034675) is sodium 2-[5-carbamoyl-9-(cyclohexylmethyl)carbazol-4-yl]oxyacetate.
What is the SMILES notation for sodium 2-[5-carbamoyl-9-(cyclohexylmethyl)carbazol-4-yl]oxyacetate?
The canonical SMILES for sodium 2-[5-carbamoyl-9-(cyclohexylmethyl)carbazol-4-yl]oxyacetate is NC(=O)c1cccc2c1c1c(OCC(=O)[O-])cccc1n2CC1CCCCC1.[Na+].
What is the InChIKey of sodium 2-[5-carbamoyl-9-(cyclohexylmethyl)carbazol-4-yl]oxyacetate?
The InChIKey is BLFXZBSKMMWZJH-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H24N2O4.Na/c23-22(27)15-8-4-9-16-20(15)21-17(10-5-11-18(21)28-13-19(25)26)24(16)12-14-6-2-1-3-7-14;/h4-5,8-11,14H,1-3,6-7,12-13H2,(H2,23,27)(H,25,26);/q;+1/p-1.
What are the key properties of sodium 2-[5-carbamoyl-9-(cyclohexylmethyl)carbazol-4-yl]oxyacetate?
sodium 2-[5-carbamoyl-9-(cyclohexylmethyl)carbazol-4-yl]oxyacetate has a molecular weight of 402.43 g/mol, XLogP of -0.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-[5-carbamoyl-9-(cyclohexylmethyl)carbazol-4-yl]oxyacetate is sourced from PubChem (CID 25034675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).