2-[5-carbamoyl-9-[(3-carbamoylphenyl)methyl]-2-phenylcarbazol-4-yl]oxyacetic acid

C29H23N3O5 — CID 70241092

IUPAC2-[5-carbamoyl-9-[(3-carbamoylphenyl)methyl]-2-phenylcarbazol-4-yl]oxyacetic acid
SMILESNC(=O)c1cccc(Cn2c3cc(-c4ccccc4)cc(OCC(=O)O)c3c3c(C(N)=O)cccc32)c1
InChIInChI=1S/C29H23N3O5/c30-28(35)19-9-4-6-17(12-19)15-32-22-11-5-10-21(29(31)36)26(22)27-23(32)13-20(18-7-2-1-3-8-18)14-24(27)37-16-25(33)34/h1-14H,15-16H2,(H2,30,35)(H2,31,36)(H,33,34)
InChIKeyMYRTXFPGPNOLPN-UHFFFAOYSA-N
MW493.52 g/mol
LogP4.17
Rot. Bonds8

About 2-[5-carbamoyl-9-[(3-carbamoylphenyl)methyl]-2-phenylcarbazol-4-yl]oxyacetic acid

2-[5-carbamoyl-9-[(3-carbamoylphenyl)methyl]-2-phenylcarbazol-4-yl]oxyacetic acid (PubChem CID 70241092) has the molecular formula C29H23N3O5 and a molecular weight of 493.52 g/mol. Its IUPAC name is 2-[5-carbamoyl-9-[(3-carbamoylphenyl)methyl]-2-phenylcarbazol-4-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[5-carbamoyl-9-[(3-carbamoylphenyl)methyl]-2-phenylcarbazol-4-yl]oxyacetic acid
PubChem CID70241092
Molecular FormulaC29H23N3O5
Molecular Weight493.52 g/mol
Exact Mass493.16
IUPAC Name2-[5-carbamoyl-9-[(3-carbamoylphenyl)methyl]-2-phenylcarbazol-4-yl]oxyacetic acid
SMILESNC(=O)c1cccc(Cn2c3cc(-c4ccccc4)cc(OCC(=O)O)c3c3c(C(N)=O)cccc32)c1
InChIInChI=1S/C29H23N3O5/c30-28(35)19-9-4-6-17(12-19)15-32-22-11-5-10-21(29(31)36)26(22)27-23(32)13-20(18-7-2-1-3-8-18)14-24(27)37-16-25(33)34/h1-14H,15-16H2,(H2,30,35)(H2,31,36)(H,33,34)
InChIKeyMYRTXFPGPNOLPN-UHFFFAOYSA-N
XLogP4.17
TPSA137.64 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.52
LogP ≤ 54.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(9-benzyl-5-carbamoyl-2-thiophen-2-ylcarbazol-4-yl)oxyacetic acid
CID 22337722
2-[5-carbamoyl-2-(4-chlorophenyl)-9-[[3-(trifluoromethyl)phenyl]methyl]carbazol-4-yl]oxyacetic acid
CID 21264326
2-[5-carbamoyl-9-[(3-iodophenyl)methyl]carbazol-4-yl]oxyacetic acid
CID 10207176
2-[9-[(3-benzylphenyl)methyl]-5-carbamoyl-2-propan-2-ylcarbazol-4-yl]oxyacetic acid
CID 21264312
2-[5-carbamoyl-2-(furan-2-yl)-9-[(4-phenylmethoxyphenyl)methyl]carbazol-4-yl]oxyacetic acid
CID 67567398
2-[[2-(9-benzyl-5-carbamoylcarbazol-4-yl)oxyacetyl]amino]acetic acid
CID 10137599
2-[5-carbamoyl-9-(3-phenylpropyl)carbazol-4-yl]oxyacetic acid
CID 22740410
ethyl 2-(9-benzyl-5-carbamoylcarbazol-4-yl)oxyacetate
CID 10135735
2-[2-butyl-5-carbamoyl-9-[(4-phenoxyphenyl)methyl]carbazol-4-yl]oxyacetic acid
CID 70240902
9-[(2-benzylphenyl)methyl]-5-hydroxy-7-phenylcarbazole-4-carboxamide
CID 22741129
2-[5-carbamoyl-2-ethyl-9-[(2-phenoxyphenyl)methyl]carbazol-4-yl]oxyacetic acid
CID 21264313
2-[9-[(2-acetamidophenyl)methyl]-5-carbamoyl-2-(furan-2-yl)carbazol-4-yl]oxyacetic acid
CID 67567598

Frequently Asked Questions

What is the IUPAC name of 2-[5-carbamoyl-9-[(3-carbamoylphenyl)methyl]-2-phenylcarbazol-4-yl]oxyacetic acid?
The IUPAC name of 2-[5-carbamoyl-9-[(3-carbamoylphenyl)methyl]-2-phenylcarbazol-4-yl]oxyacetic acid (CID 70241092) is 2-[5-carbamoyl-9-[(3-carbamoylphenyl)methyl]-2-phenylcarbazol-4-yl]oxyacetic acid.
What is the SMILES notation for 2-[5-carbamoyl-9-[(3-carbamoylphenyl)methyl]-2-phenylcarbazol-4-yl]oxyacetic acid?
The canonical SMILES for 2-[5-carbamoyl-9-[(3-carbamoylphenyl)methyl]-2-phenylcarbazol-4-yl]oxyacetic acid is NC(=O)c1cccc(Cn2c3cc(-c4ccccc4)cc(OCC(=O)O)c3c3c(C(N)=O)cccc32)c1.
What is the InChIKey of 2-[5-carbamoyl-9-[(3-carbamoylphenyl)methyl]-2-phenylcarbazol-4-yl]oxyacetic acid?
The InChIKey is MYRTXFPGPNOLPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23N3O5/c30-28(35)19-9-4-6-17(12-19)15-32-22-11-5-10-21(29(31)36)26(22)27-23(32)13-20(18-7-2-1-3-8-18)14-24(27)37-16-25(33)34/h1-14H,15-16H2,(H2,30,35)(H2,31,36)(H,33,34).
What are the key properties of 2-[5-carbamoyl-9-[(3-carbamoylphenyl)methyl]-2-phenylcarbazol-4-yl]oxyacetic acid?
2-[5-carbamoyl-9-[(3-carbamoylphenyl)methyl]-2-phenylcarbazol-4-yl]oxyacetic acid has a molecular weight of 493.52 g/mol, XLogP of 4.17, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-carbamoyl-9-[(3-carbamoylphenyl)methyl]-2-phenylcarbazol-4-yl]oxyacetic acid is sourced from PubChem (CID 70241092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).