2-[2-(9H-carbazol-1-yl)ethyl]pentanedioic acid

C19H19NO4 — CID 67896134

IUPAC2-[2-(9H-carbazol-1-yl)ethyl]pentanedioic acid
SMILESO=C(O)CCC(CCc1cccc2c1[nH]c1ccccc12)C(=O)O
InChIInChI=1S/C19H19NO4/c21-17(22)11-10-13(19(23)24)9-8-12-4-3-6-15-14-5-1-2-7-16(14)20-18(12)15/h1-7,13,20H,8-11H2,(H,21,22)(H,23,24)
InChIKeyFJMVSTXIAVAETK-UHFFFAOYSA-N
MW325.36 g/mol
LogP3.82
Rot. Bonds7

About 2-[2-(9H-carbazol-1-yl)ethyl]pentanedioic acid

2-[2-(9H-carbazol-1-yl)ethyl]pentanedioic acid (PubChem CID 67896134) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is 2-[2-(9H-carbazol-1-yl)ethyl]pentanedioic acid.

Molecular Properties

Compound Name2-[2-(9H-carbazol-1-yl)ethyl]pentanedioic acid
PubChem CID67896134
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Name2-[2-(9H-carbazol-1-yl)ethyl]pentanedioic acid
SMILESO=C(O)CCC(CCc1cccc2c1[nH]c1ccccc12)C(=O)O
InChIInChI=1S/C19H19NO4/c21-17(22)11-10-13(19(23)24)9-8-12-4-3-6-15-14-5-1-2-7-16(14)20-18(12)15/h1-7,13,20H,8-11H2,(H,21,22)(H,23,24)
InChIKeyFJMVSTXIAVAETK-UHFFFAOYSA-N
XLogP3.82
TPSA90.39 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

5-(9H-carbazol-1-yl)pentane-2,3-dione
CID 142696076
2-[2-(9H-carbazol-1-yl)ethyl]undecan-1-ol
CID 164577577
2-[[(2-carboxy-4-phenylbutyl)-hydroxyphosphanyl]methyl]pentanedioic acid
CID 139457437
1-butyl-9H-carbazole;phosphane;hydrate
CID 174715058
1-but-3-ynyl-9H-carbazole
CID 173036439
2-(1-methyl-9H-carbazol-2-yl)acetic acid
CID 54249777
3-(9H-carbazol-1-yl)propyl prop-2-enoate
CID 18766698
1-(6-phenoxyhexyl)-9H-carbazole
CID 141296820
1-(9H-carbazol-1-yl)-3-phenylpropan-1-one
CID 2793732
2-(9H-carbazole-1-carbonyl)benzoic acid
CID 54401477
(2S)-2-[2-(4-propylphenyl)ethyl]pentanedioic acid
CID 70074227
2-[3-[4-(4,6-dicarboxyhexyl)naphthalen-1-yl]propyl]pentanedioic acid;2-[3-[4-(4,5-dicarboxypentyl)naphthalen-1-yl]propyl]butanedioic acid;2-[[4-(2,3-dicarboxypropyl)naphthalen-1-yl]methyl]butanedioic acid
CID 159999367

Frequently Asked Questions

What is the IUPAC name of 2-[2-(9H-carbazol-1-yl)ethyl]pentanedioic acid?
The IUPAC name of 2-[2-(9H-carbazol-1-yl)ethyl]pentanedioic acid (CID 67896134) is 2-[2-(9H-carbazol-1-yl)ethyl]pentanedioic acid.
What is the SMILES notation for 2-[2-(9H-carbazol-1-yl)ethyl]pentanedioic acid?
The canonical SMILES for 2-[2-(9H-carbazol-1-yl)ethyl]pentanedioic acid is O=C(O)CCC(CCc1cccc2c1[nH]c1ccccc12)C(=O)O.
What is the InChIKey of 2-[2-(9H-carbazol-1-yl)ethyl]pentanedioic acid?
The InChIKey is FJMVSTXIAVAETK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4/c21-17(22)11-10-13(19(23)24)9-8-12-4-3-6-15-14-5-1-2-7-16(14)20-18(12)15/h1-7,13,20H,8-11H2,(H,21,22)(H,23,24).
What are the key properties of 2-[2-(9H-carbazol-1-yl)ethyl]pentanedioic acid?
2-[2-(9H-carbazol-1-yl)ethyl]pentanedioic acid has a molecular weight of 325.36 g/mol, XLogP of 3.82, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(9H-carbazol-1-yl)ethyl]pentanedioic acid is sourced from PubChem (CID 67896134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).