2-[[2-(9-benzyl-5-carbamoylcarbazol-4-yl)oxyacetyl]amino]acetic acid

C24H21N3O5 — CID 10137599

IUPAC2-[[2-(9-benzyl-5-carbamoylcarbazol-4-yl)oxyacetyl]amino]acetic acid
SMILESNC(=O)c1cccc2c1c1c(OCC(=O)NCC(=O)O)cccc1n2Cc1ccccc1
InChIInChI=1S/C24H21N3O5/c25-24(31)16-8-4-9-17-22(16)23-18(27(17)13-15-6-2-1-3-7-15)10-5-11-19(23)32-14-20(28)26-12-21(29)30/h1-11H,12-14H2,(H2,25,31)(H,26,28)(H,29,30)
InChIKeyKJKHKZWZYFLYPR-UHFFFAOYSA-N
MW431.45 g/mol
LogP2.52
Rot. Bonds8

About 2-[[2-(9-benzyl-5-carbamoylcarbazol-4-yl)oxyacetyl]amino]acetic acid

2-[[2-(9-benzyl-5-carbamoylcarbazol-4-yl)oxyacetyl]amino]acetic acid (PubChem CID 10137599) has the molecular formula C24H21N3O5 and a molecular weight of 431.45 g/mol. Its IUPAC name is 2-[[2-(9-benzyl-5-carbamoylcarbazol-4-yl)oxyacetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(9-benzyl-5-carbamoylcarbazol-4-yl)oxyacetyl]amino]acetic acid
PubChem CID10137599
Molecular FormulaC24H21N3O5
Molecular Weight431.45 g/mol
Exact Mass431.15
IUPAC Name2-[[2-(9-benzyl-5-carbamoylcarbazol-4-yl)oxyacetyl]amino]acetic acid
SMILESNC(=O)c1cccc2c1c1c(OCC(=O)NCC(=O)O)cccc1n2Cc1ccccc1
InChIInChI=1S/C24H21N3O5/c25-24(31)16-8-4-9-17-22(16)23-18(27(17)13-15-6-2-1-3-7-15)10-5-11-19(23)32-14-20(28)26-12-21(29)30/h1-11H,12-14H2,(H2,25,31)(H,26,28)(H,29,30)
InChIKeyKJKHKZWZYFLYPR-UHFFFAOYSA-N
XLogP2.52
TPSA123.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.45
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[[2-(9-benzyl-5-carbamoylcarbazol-4-yl)oxyacetyl]amino]acetic acid with MolForge

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Related Compounds

ethyl 2-(9-benzyl-5-carbamoylcarbazol-4-yl)oxyacetate
CID 10135735
2-[5-carbamoyl-9-[(3-iodophenyl)methyl]carbazol-4-yl]oxyacetic acid
CID 10207176
2-[5-carbamoyl-9-(3-phenylpropyl)carbazol-4-yl]oxyacetic acid
CID 22740410
2-[5-carbamoyl-9-[(3-carbamoylphenyl)methyl]-2-phenylcarbazol-4-yl]oxyacetic acid
CID 70241092
2-(9-benzyl-5-carbamoyl-2-thiophen-2-ylcarbazol-4-yl)oxyacetic acid
CID 22337722
2-(9-benzyl-5-methylcarbazol-4-yl)oxyacetic acid
CID 143459807
2-[9-[(3-benzylphenyl)methyl]-5-carbamoyl-2-propan-2-ylcarbazol-4-yl]oxyacetic acid
CID 21264312
2-[2-butyl-5-carbamoyl-9-[(4-phenoxyphenyl)methyl]carbazol-4-yl]oxyacetic acid
CID 70240902
2-[5-carbamoyl-9-(cyclobutylmethyl)carbazol-4-yl]oxyacetic acid
CID 22741302
2-[5-carbamoyl-9-[2-(2,3-difluorophenyl)ethyl]carbazol-4-yl]oxyacetic acid
CID 154451965
sodium 2-[5-carbamoyl-9-[(3,5-dimethylphenyl)methyl]carbazol-4-yl]oxyacetate
CID 21304071
methyl 2-[5-carbamoyl-9-(pyridin-2-ylmethyl)carbazol-4-yl]oxyacetate
CID 86756280

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(9-benzyl-5-carbamoylcarbazol-4-yl)oxyacetyl]amino]acetic acid?
The IUPAC name of 2-[[2-(9-benzyl-5-carbamoylcarbazol-4-yl)oxyacetyl]amino]acetic acid (CID 10137599) is 2-[[2-(9-benzyl-5-carbamoylcarbazol-4-yl)oxyacetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-(9-benzyl-5-carbamoylcarbazol-4-yl)oxyacetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-(9-benzyl-5-carbamoylcarbazol-4-yl)oxyacetyl]amino]acetic acid is NC(=O)c1cccc2c1c1c(OCC(=O)NCC(=O)O)cccc1n2Cc1ccccc1.
What is the InChIKey of 2-[[2-(9-benzyl-5-carbamoylcarbazol-4-yl)oxyacetyl]amino]acetic acid?
The InChIKey is KJKHKZWZYFLYPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O5/c25-24(31)16-8-4-9-17-22(16)23-18(27(17)13-15-6-2-1-3-7-15)10-5-11-19(23)32-14-20(28)26-12-21(29)30/h1-11H,12-14H2,(H2,25,31)(H,26,28)(H,29,30).
What are the key properties of 2-[[2-(9-benzyl-5-carbamoylcarbazol-4-yl)oxyacetyl]amino]acetic acid?
2-[[2-(9-benzyl-5-carbamoylcarbazol-4-yl)oxyacetyl]amino]acetic acid has a molecular weight of 431.45 g/mol, XLogP of 2.52, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(9-benzyl-5-carbamoylcarbazol-4-yl)oxyacetyl]amino]acetic acid is sourced from PubChem (CID 10137599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).