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

C20H19NO4 — CID 4907234

IUPAC3-methyl-2-[(9-oxofluorene-4-carbonyl)amino]pentanoic acid
SMILESCCC(C)C(NC(=O)c1cccc2c1-c1ccccc1C2=O)C(=O)O
InChIInChI=1S/C20H19NO4/c1-3-11(2)17(20(24)25)21-19(23)15-10-6-9-14-16(15)12-7-4-5-8-13(12)18(14)22/h4-11,17H,3H2,1-2H3,(H,21,23)(H,24,25)
InChIKeyKNERXKYUZIDBRX-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.13
Rot. Bonds5

About 3-methyl-2-[(9-oxofluorene-4-carbonyl)amino]pentanoic acid

3-methyl-2-[(9-oxofluorene-4-carbonyl)amino]pentanoic acid (PubChem CID 4907234) has the molecular formula C20H19NO4 and a molecular weight of 337.38 g/mol. Its IUPAC name is 3-methyl-2-[(9-oxofluorene-4-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name3-methyl-2-[(9-oxofluorene-4-carbonyl)amino]pentanoic acid
PubChem CID4907234
Molecular FormulaC20H19NO4
Molecular Weight337.38 g/mol
Exact Mass337.13
IUPAC Name3-methyl-2-[(9-oxofluorene-4-carbonyl)amino]pentanoic acid
SMILESCCC(C)C(NC(=O)c1cccc2c1-c1ccccc1C2=O)C(=O)O
InChIInChI=1S/C20H19NO4/c1-3-11(2)17(20(24)25)21-19(23)15-10-6-9-14-16(15)12-7-4-5-8-13(12)18(14)22/h4-11,17H,3H2,1-2H3,(H,21,23)(H,24,25)
InChIKeyKNERXKYUZIDBRX-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

3-methyl-2-[[3-methyl-2-[(9-oxofluorene-4-carbonyl)amino]butanoyl]amino]pentanoic acid
CID 4966783
(2S,3R)-3-methyl-2-[(9-oxofluorene-4-carbonyl)amino]pentanoate
CID 7618547
(2S,3R)-3-methyl-2-[(1-oxo-2,3-dihydroindene-4-carbonyl)amino]pentanoic acid
CID 101226222
4-methyl-2-[(9-oxofluorene-4-carbonyl)amino]pentanoic acid
CID 4974681
(2S,3S)-3-methyl-2-[(2-methylsulfanylbenzoyl)amino]pentanoic acid
CID 61137536
(2S,3R)-3-methyl-2-[(3-oxo-2-phenyl-1H-isoindole-4-carbonyl)amino]pentanoic acid
CID 7618910
2-[(9,10-dioxoanthracen-2-yl)carbamoylamino]-3-methylpentanoic acid
CID 4966865
(2S)-3-methyl-2-[(2-prop-2-enoxybenzoyl)amino]pentanoic acid
CID 61172917
(2S)-3-methyl-2-[[2-[[2-[[(2R)-3-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopentan-2-yl]carbamoyl]phenyl]disulfanyl]benzoyl]amino]pentanoic acid
CID 57309904
2-[(2-aminopyridine-3-carbonyl)amino]-3-methylpentanoic acid
CID 82546724
methyl (2S,3S)-3-methyl-2-[(1-oxo-2,3-dihydroindene-4-carbonyl)amino]pentanoate
CID 91110567
(2S)-2-(1H-indole-3-carbonylamino)-3-methylpentanoic acid
CID 61174653

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(9-oxofluorene-4-carbonyl)amino]pentanoic acid?
The IUPAC name of 3-methyl-2-[(9-oxofluorene-4-carbonyl)amino]pentanoic acid (CID 4907234) is 3-methyl-2-[(9-oxofluorene-4-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 3-methyl-2-[(9-oxofluorene-4-carbonyl)amino]pentanoic acid?
The canonical SMILES for 3-methyl-2-[(9-oxofluorene-4-carbonyl)amino]pentanoic acid is CCC(C)C(NC(=O)c1cccc2c1-c1ccccc1C2=O)C(=O)O.
What is the InChIKey of 3-methyl-2-[(9-oxofluorene-4-carbonyl)amino]pentanoic acid?
The InChIKey is KNERXKYUZIDBRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4/c1-3-11(2)17(20(24)25)21-19(23)15-10-6-9-14-16(15)12-7-4-5-8-13(12)18(14)22/h4-11,17H,3H2,1-2H3,(H,21,23)(H,24,25).
What are the key properties of 3-methyl-2-[(9-oxofluorene-4-carbonyl)amino]pentanoic acid?
3-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 3-methyl-2-[(9-oxofluorene-4-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 4907234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).