5-[(9-ethylcarbazol-3-yl)amino]-5-oxopentanoic acid

C19H20N2O3 — CID 3498432

IUPAC5-[(9-ethylcarbazol-3-yl)amino]-5-oxopentanoic acid
SMILESCCn1c2ccccc2c2cc(NC(=O)CCCC(=O)O)ccc21
InChIInChI=1S/C19H20N2O3/c1-2-21-16-7-4-3-6-14(16)15-12-13(10-11-17(15)21)20-18(22)8-5-9-19(23)24/h3-4,6-7,10-12H,2,5,8-9H2,1H3,(H,20,22)(H,23,24)
InChIKeyXGMVDRHWIYYFKQ-UHFFFAOYSA-N
MW324.38 g/mol
LogP4.01
Rot. Bonds6

About 5-[(9-ethylcarbazol-3-yl)amino]-5-oxopentanoic acid

5-[(9-ethylcarbazol-3-yl)amino]-5-oxopentanoic acid (PubChem CID 3498432) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 5-[(9-ethylcarbazol-3-yl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[(9-ethylcarbazol-3-yl)amino]-5-oxopentanoic acid
PubChem CID3498432
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name5-[(9-ethylcarbazol-3-yl)amino]-5-oxopentanoic acid
SMILESCCn1c2ccccc2c2cc(NC(=O)CCCC(=O)O)ccc21
InChIInChI=1S/C19H20N2O3/c1-2-21-16-7-4-3-6-14(16)15-12-13(10-11-17(15)21)20-18(22)8-5-9-19(23)24/h3-4,6-7,10-12H,2,5,8-9H2,1H3,(H,20,22)(H,23,24)
InChIKeyXGMVDRHWIYYFKQ-UHFFFAOYSA-N
XLogP4.01
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(9-ethylcarbazol-3-yl)-4-(methylamino)butanamide
CID 119672985
N-(9-ethylcarbazol-3-yl)-2-sulfanylacetamide
CID 54424608
3-ethoxy-N-(9-ethylcarbazol-3-yl)propanamide
CID 56502139
4-amino-N-(9-ethylcarbazol-3-yl)pentanamide
CID 120558708
N-(9-ethylcarbazol-3-yl)-4-(2-methyl-9-oxoacridin-10-yl)butanamide
CID 22330387
N-(4-cyanophenyl)-N'-(9-ethylcarbazol-3-yl)butanediamide
CID 90300485
N-(9-ethylcarbazol-3-yl)-4-pyrrolidin-1-ylsulfonylbutanamide
CID 112843902
3-(4-chlorophenyl)-N-(9-ethylcarbazol-3-yl)propanamide
CID 100589996
3-amino-N-(9-ethylcarbazol-3-yl)-3-methylbutanamide
CID 167911197
trans-(1S,2S)-1-N,2-N-bis(9-ethylcarbazol-3-yl)-3-methylidenecyclopropane-1,2-dicarboxamide
CID 2321929
3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(9-ethylcarbazol-3-yl)propanamide
CID 22458850
N'-(9-ethylcarbazol-3-yl)-N-[4-(2-phenylethoxy)phenyl]butanediamide
CID 51362577

Frequently Asked Questions

What is the IUPAC name of 5-[(9-ethylcarbazol-3-yl)amino]-5-oxopentanoic acid?
The IUPAC name of 5-[(9-ethylcarbazol-3-yl)amino]-5-oxopentanoic acid (CID 3498432) is 5-[(9-ethylcarbazol-3-yl)amino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[(9-ethylcarbazol-3-yl)amino]-5-oxopentanoic acid?
The canonical SMILES for 5-[(9-ethylcarbazol-3-yl)amino]-5-oxopentanoic acid is CCn1c2ccccc2c2cc(NC(=O)CCCC(=O)O)ccc21.
What is the InChIKey of 5-[(9-ethylcarbazol-3-yl)amino]-5-oxopentanoic acid?
The InChIKey is XGMVDRHWIYYFKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-2-21-16-7-4-3-6-14(16)15-12-13(10-11-17(15)21)20-18(22)8-5-9-19(23)24/h3-4,6-7,10-12H,2,5,8-9H2,1H3,(H,20,22)(H,23,24).
What are the key properties of 5-[(9-ethylcarbazol-3-yl)amino]-5-oxopentanoic acid?
5-[(9-ethylcarbazol-3-yl)amino]-5-oxopentanoic acid has a molecular weight of 324.38 g/mol, XLogP of 4.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(9-ethylcarbazol-3-yl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 3498432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).