2-acetamido-4-(9-methylcarbazol-3-yl)-4-oxobutanoic acid

C19H18N2O4 — CID 54080278

IUPAC2-acetamido-4-(9-methylcarbazol-3-yl)-4-oxobutanoic acid
SMILESCC(=O)NC(CC(=O)c1ccc2c(c1)c1ccccc1n2C)C(=O)O
InChIInChI=1S/C19H18N2O4/c1-11(22)20-15(19(24)25)10-18(23)12-7-8-17-14(9-12)13-5-3-4-6-16(13)21(17)2/h3-9,15H,10H2,1-2H3,(H,20,22)(H,24,25)
InChIKeyMMPRLVALTOSRCM-UHFFFAOYSA-N
MW338.36 g/mol
LogP2.49
Rot. Bonds5

About 2-acetamido-4-(9-methylcarbazol-3-yl)-4-oxobutanoic acid

2-acetamido-4-(9-methylcarbazol-3-yl)-4-oxobutanoic acid (PubChem CID 54080278) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is 2-acetamido-4-(9-methylcarbazol-3-yl)-4-oxobutanoic acid.

Molecular Properties

Compound Name2-acetamido-4-(9-methylcarbazol-3-yl)-4-oxobutanoic acid
PubChem CID54080278
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Name2-acetamido-4-(9-methylcarbazol-3-yl)-4-oxobutanoic acid
SMILESCC(=O)NC(CC(=O)c1ccc2c(c1)c1ccccc1n2C)C(=O)O
InChIInChI=1S/C19H18N2O4/c1-11(22)20-15(19(24)25)10-18(23)12-7-8-17-14(9-12)13-5-3-4-6-16(13)21(17)2/h3-9,15H,10H2,1-2H3,(H,20,22)(H,24,25)
InChIKeyMMPRLVALTOSRCM-UHFFFAOYSA-N
XLogP2.49
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-acetamido-3-(1-methylindol-3-yl)propanoic acid
CID 95466654
2-acetamido-3-(3-methylindol-1-yl)propanoic acid
CID 64581102
1-(9-propylcarbazol-3-yl)butan-1-one
CID 145412526
2-acetamido-4-(2-acetamidophenyl)-4-oxobutanoic acid
CID 71434928
4-dibenzofuran-2-yl-4-oxo-2-[(2,3,4,5,6-pentafluorobenzoyl)amino]butanoic acid
CID 19361892
4-dibenzofuran-2-yl-4-oxo-2-[(4-phenylbenzoyl)amino]butanoic acid
CID 18325226
2-acetamido-3-anthracen-9-ylpropanoic acid
CID 54846693
2-(ethylamino)-4-oxo-4-phenylbutanoic acid
CID 23008759
2-oxo-2-(9-phenylcarbazol-3-yl)acetic acid
CID 22287027
2-methyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-4-oxobutanoic acid
CID 15644560
1-(9-phenylcarbazol-3-yl)pentan-1-one
CID 140927753
4-carbazol-9-yl-2-(methylamino)butanoic acid
CID 63038805

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-4-(9-methylcarbazol-3-yl)-4-oxobutanoic acid?
The IUPAC name of 2-acetamido-4-(9-methylcarbazol-3-yl)-4-oxobutanoic acid (CID 54080278) is 2-acetamido-4-(9-methylcarbazol-3-yl)-4-oxobutanoic acid.
What is the SMILES notation for 2-acetamido-4-(9-methylcarbazol-3-yl)-4-oxobutanoic acid?
The canonical SMILES for 2-acetamido-4-(9-methylcarbazol-3-yl)-4-oxobutanoic acid is CC(=O)NC(CC(=O)c1ccc2c(c1)c1ccccc1n2C)C(=O)O.
What is the InChIKey of 2-acetamido-4-(9-methylcarbazol-3-yl)-4-oxobutanoic acid?
The InChIKey is MMPRLVALTOSRCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-11(22)20-15(19(24)25)10-18(23)12-7-8-17-14(9-12)13-5-3-4-6-16(13)21(17)2/h3-9,15H,10H2,1-2H3,(H,20,22)(H,24,25).
What are the key properties of 2-acetamido-4-(9-methylcarbazol-3-yl)-4-oxobutanoic acid?
2-acetamido-4-(9-methylcarbazol-3-yl)-4-oxobutanoic acid has a molecular weight of 338.36 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-4-(9-methylcarbazol-3-yl)-4-oxobutanoic acid is sourced from PubChem (CID 54080278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).