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

C25H28N2O5 — CID 4966783

IUPAC3-methyl-2-[[3-methyl-2-[(9-oxofluorene-4-carbonyl)amino]butanoyl]amino]pentanoic acid
SMILESCCC(C)C(NC(=O)C(NC(=O)c1cccc2c1-c1ccccc1C2=O)C(C)C)C(=O)O
InChIInChI=1S/C25H28N2O5/c1-5-14(4)21(25(31)32)27-24(30)20(13(2)3)26-23(29)18-12-8-11-17-19(18)15-9-6-7-10-16(15)22(17)28/h6-14,20-21H,5H2,1-4H3,(H,26,29)(H,27,30)(H,31,32)
InChIKeyRDFLRSPDEUGIOC-UHFFFAOYSA-N
MW436.51 g/mol
LogP3.27
Rot. Bonds8

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

3-methyl-2-[[3-methyl-2-[(9-oxofluorene-4-carbonyl)amino]butanoyl]amino]pentanoic acid (PubChem CID 4966783) has the molecular formula C25H28N2O5 and a molecular weight of 436.51 g/mol. Its IUPAC name is 3-methyl-2-[[3-methyl-2-[(9-oxofluorene-4-carbonyl)amino]butanoyl]amino]pentanoic acid.

Molecular Properties

Compound Name3-methyl-2-[[3-methyl-2-[(9-oxofluorene-4-carbonyl)amino]butanoyl]amino]pentanoic acid
PubChem CID4966783
Molecular FormulaC25H28N2O5
Molecular Weight436.51 g/mol
Exact Mass436.20
IUPAC Name3-methyl-2-[[3-methyl-2-[(9-oxofluorene-4-carbonyl)amino]butanoyl]amino]pentanoic acid
SMILESCCC(C)C(NC(=O)C(NC(=O)c1cccc2c1-c1ccccc1C2=O)C(C)C)C(=O)O
InChIInChI=1S/C25H28N2O5/c1-5-14(4)21(25(31)32)27-24(30)20(13(2)3)26-23(29)18-12-8-11-17-19(18)15-9-6-7-10-16(15)22(17)28/h6-14,20-21H,5H2,1-4H3,(H,26,29)(H,27,30)(H,31,32)
InChIKeyRDFLRSPDEUGIOC-UHFFFAOYSA-N
XLogP3.27
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-methyl-2-[[3-methyl-2-[(9-oxofluorene-4-carbonyl)amino]butanoyl]amino]pentanoic acid with MolForge

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Related Compounds

3-methyl-2-[(9-oxofluorene-4-carbonyl)amino]pentanoic acid
CID 4907234
(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)-2-[[(2S)-2-anilino-3-methylbutanoyl]amino]-3-methylpentanoic acid
CID 141408617
(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-[(2-aminopyridine-3-carbonyl)amino]-3-methylpentanoic acid
CID 82546724
(2S,3S)-2-[(2-acetamido-3-methylbutanoyl)amino]-3-methylpentanoic acid
CID 61137926
2-[(2-acetamido-3-methylbutanoyl)amino]-3-methylpentanoic acid
CID 43171197
(2S)-3-methyl-2-[(2-prop-2-enoxybenzoyl)amino]pentanoic acid
CID 61172917
2-[(9,10-dioxoanthracen-2-yl)carbamoylamino]-3-methylpentanoic acid
CID 4966865

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[[3-methyl-2-[(9-oxofluorene-4-carbonyl)amino]butanoyl]amino]pentanoic acid?
The IUPAC name of 3-methyl-2-[[3-methyl-2-[(9-oxofluorene-4-carbonyl)amino]butanoyl]amino]pentanoic acid (CID 4966783) is 3-methyl-2-[[3-methyl-2-[(9-oxofluorene-4-carbonyl)amino]butanoyl]amino]pentanoic acid.
What is the SMILES notation for 3-methyl-2-[[3-methyl-2-[(9-oxofluorene-4-carbonyl)amino]butanoyl]amino]pentanoic acid?
The canonical SMILES for 3-methyl-2-[[3-methyl-2-[(9-oxofluorene-4-carbonyl)amino]butanoyl]amino]pentanoic acid is CCC(C)C(NC(=O)C(NC(=O)c1cccc2c1-c1ccccc1C2=O)C(C)C)C(=O)O.
What is the InChIKey of 3-methyl-2-[[3-methyl-2-[(9-oxofluorene-4-carbonyl)amino]butanoyl]amino]pentanoic acid?
The InChIKey is RDFLRSPDEUGIOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O5/c1-5-14(4)21(25(31)32)27-24(30)20(13(2)3)26-23(29)18-12-8-11-17-19(18)15-9-6-7-10-16(15)22(17)28/h6-14,20-21H,5H2,1-4H3,(H,26,29)(H,27,30)(H,31,32).
What are the key properties of 3-methyl-2-[[3-methyl-2-[(9-oxofluorene-4-carbonyl)amino]butanoyl]amino]pentanoic acid?
3-methyl-2-[[3-methyl-2-[(9-oxofluorene-4-carbonyl)amino]butanoyl]amino]pentanoic acid has a molecular weight of 436.51 g/mol, XLogP of 3.27, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[[3-methyl-2-[(9-oxofluorene-4-carbonyl)amino]butanoyl]amino]pentanoic acid is sourced from PubChem (CID 4966783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).