4-methyl-2-[(9-oxofluorene-4-carbonyl)amino]pentanoic acid

C20H19NO4 — CID 4974681

IUPAC4-methyl-2-[(9-oxofluorene-4-carbonyl)amino]pentanoic acid
SMILESCC(C)CC(NC(=O)c1cccc2c1-c1ccccc1C2=O)C(=O)O
InChIInChI=1S/C20H19NO4/c1-11(2)10-16(20(24)25)21-19(23)15-9-5-8-14-17(15)12-6-3-4-7-13(12)18(14)22/h3-9,11,16H,10H2,1-2H3,(H,21,23)(H,24,25)
InChIKeyZJNWATLFXGOOQC-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.13
Rot. Bonds5

About 4-methyl-2-[(9-oxofluorene-4-carbonyl)amino]pentanoic acid

4-methyl-2-[(9-oxofluorene-4-carbonyl)amino]pentanoic acid (PubChem CID 4974681) has the molecular formula C20H19NO4 and a molecular weight of 337.38 g/mol. Its IUPAC name is 4-methyl-2-[(9-oxofluorene-4-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-[(9-oxofluorene-4-carbonyl)amino]pentanoic acid
PubChem CID4974681
Molecular FormulaC20H19NO4
Molecular Weight337.38 g/mol
Exact Mass337.13
IUPAC Name4-methyl-2-[(9-oxofluorene-4-carbonyl)amino]pentanoic acid
SMILESCC(C)CC(NC(=O)c1cccc2c1-c1ccccc1C2=O)C(=O)O
InChIInChI=1S/C20H19NO4/c1-11(2)10-16(20(24)25)21-19(23)15-9-5-8-14-17(15)12-6-3-4-7-13(12)18(14)22/h3-9,11,16H,10H2,1-2H3,(H,21,23)(H,24,25)
InChIKeyZJNWATLFXGOOQC-UHFFFAOYSA-N
XLogP3.13
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(9-oxofluorene-4-carbonyl)amino]-3-phenylpropanoic acid
CID 4908821
(2R)-2-[[2-(2-methoxyphenyl)benzoyl]amino]-4-methylpentanoic acid
CID 167810272
3-methyl-2-[(9-oxofluorene-4-carbonyl)amino]pentanoic acid
CID 4907234
(2S)-2-[(2-methoxybenzoyl)amino]-4-methylpentanoic acid
CID 42255886
(2R)-4-methyl-2-[(2-methylsulfonylbenzoyl)amino]pentanoic acid
CID 41119776
(2R)-4-methyl-2-[(2-propan-2-ylsulfanylbenzoyl)amino]pentanoic acid
CID 119363699
(2R)-4-methyl-2-[(4-phenyl-1H-pyrrole-3-carbonyl)amino]pentanoic acid
CID 119363334
(2S)-2-[[(2S)-2-[(3-hydroxy-2-methylbenzoyl)amino]-4-methylpentanoyl]amino]-4-methylpentanoic acid
CID 46930259
2-[(2-chloro-3-fluorobenzoyl)amino]-4-methylpentanoic acid
CID 81361459
(2S,3R)-3-methyl-2-[(9-oxofluorene-4-carbonyl)amino]pentanoate
CID 7618547
2-[[2-[(9-oxofluorene-4-carbonyl)amino]-3-phenylpropanoyl]amino]acetic acid
CID 4839560
(2R)-4-methyl-2-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]amino]pentanoic acid
CID 119364440

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(9-oxofluorene-4-carbonyl)amino]pentanoic acid?
The IUPAC name of 4-methyl-2-[(9-oxofluorene-4-carbonyl)amino]pentanoic acid (CID 4974681) is 4-methyl-2-[(9-oxofluorene-4-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 4-methyl-2-[(9-oxofluorene-4-carbonyl)amino]pentanoic acid?
The canonical SMILES for 4-methyl-2-[(9-oxofluorene-4-carbonyl)amino]pentanoic acid is CC(C)CC(NC(=O)c1cccc2c1-c1ccccc1C2=O)C(=O)O.
What is the InChIKey of 4-methyl-2-[(9-oxofluorene-4-carbonyl)amino]pentanoic acid?
The InChIKey is ZJNWATLFXGOOQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4/c1-11(2)10-16(20(24)25)21-19(23)15-9-5-8-14-17(15)12-6-3-4-7-13(12)18(14)22/h3-9,11,16H,10H2,1-2H3,(H,21,23)(H,24,25).
What are the key properties of 4-methyl-2-[(9-oxofluorene-4-carbonyl)amino]pentanoic acid?
4-methyl-2-[(9-oxofluorene-4-carbonyl)amino]pentanoic acid has a molecular weight of 337.38 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(9-oxofluorene-4-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 4974681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).