(2S,3R)-3-methyl-2-[(9-oxofluorene-4-carbonyl)amino]pentanoate

C20H18NO4- — CID 7618547

IUPAC(2S,3R)-3-methyl-2-[(9-oxofluorene-4-carbonyl)amino]pentanoate
SMILESCC[C@@H](C)[C@H](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)/p-1/t11-,17+/m1/s1
InChIKeyKNERXKYUZIDBRX-DIFFPNOSSA-M
MW336.37 g/mol
LogP1.79
Rot. Bonds5

About (2S,3R)-3-methyl-2-[(9-oxofluorene-4-carbonyl)amino]pentanoate

(2S,3R)-3-methyl-2-[(9-oxofluorene-4-carbonyl)amino]pentanoate (PubChem CID 7618547) has the molecular formula C20H18NO4- and a molecular weight of 336.37 g/mol. Its IUPAC name is (2S,3R)-3-methyl-2-[(9-oxofluorene-4-carbonyl)amino]pentanoate.

Molecular Properties

Compound Name(2S,3R)-3-methyl-2-[(9-oxofluorene-4-carbonyl)amino]pentanoate
PubChem CID7618547
Molecular FormulaC20H18NO4-
Molecular Weight336.37 g/mol
Exact Mass336.12
IUPAC Name(2S,3R)-3-methyl-2-[(9-oxofluorene-4-carbonyl)amino]pentanoate
SMILESCC[C@@H](C)[C@H](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)/p-1/t11-,17+/m1/s1
InChIKeyKNERXKYUZIDBRX-DIFFPNOSSA-M
XLogP1.79
TPSA86.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-2-[(9-oxofluorene-4-carbonyl)amino]pentanoic acid
CID 4907234
3-methyl-2-[[3-methyl-2-[(9-oxofluorene-4-carbonyl)amino]butanoyl]amino]pentanoic acid
CID 4966783
(2S,3R)-3-methyl-2-[(3-oxo-2-phenyl-1H-isoindole-4-carbonyl)amino]pentanoate
CID 7618909
4-methyl-2-[(9-oxofluorene-4-carbonyl)amino]pentanoic acid
CID 4974681
methyl (2S,3S)-3-methyl-2-[(1-oxo-2,3-dihydroindene-4-carbonyl)amino]pentanoate
CID 91110567
(2R,3S)-2-[(4-chlorobenzoyl)amino]-3-methylpentanoate
CID 2363260
(2S,3S)-2-[[2-(furan-2-carbonylamino)benzoyl]amino]-3-methylpentanoate
CID 7035399
(2R,3S)-2-[[2-[(4-methoxybenzoyl)amino]benzoyl]amino]-3-methylpentanoate
CID 7392970
2-[(9-oxofluorene-4-carbonyl)amino]-3-phenylpropanoic acid
CID 4908821
(2S,3R)-3-methyl-2-[(1-oxo-2,3-dihydroindene-4-carbonyl)amino]pentanoic acid
CID 101226222
methyl 2-[(2-fluorobenzoyl)amino]-3-methylpentanoate
CID 60645470
N-methyl-9,10-dioxoanthracene-1-carboxamide
CID 71365214

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-methyl-2-[(9-oxofluorene-4-carbonyl)amino]pentanoate?
The IUPAC name of (2S,3R)-3-methyl-2-[(9-oxofluorene-4-carbonyl)amino]pentanoate (CID 7618547) is (2S,3R)-3-methyl-2-[(9-oxofluorene-4-carbonyl)amino]pentanoate.
What is the SMILES notation for (2S,3R)-3-methyl-2-[(9-oxofluorene-4-carbonyl)amino]pentanoate?
The canonical SMILES for (2S,3R)-3-methyl-2-[(9-oxofluorene-4-carbonyl)amino]pentanoate is CC[C@@H](C)[C@H](NC(=O)c1cccc2c1-c1ccccc1C2=O)C(=O)[O-].
What is the InChIKey of (2S,3R)-3-methyl-2-[(9-oxofluorene-4-carbonyl)amino]pentanoate?
The InChIKey is KNERXKYUZIDBRX-DIFFPNOSSA-M. 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)/p-1/t11-,17+/m1/s1.
What are the key properties of (2S,3R)-3-methyl-2-[(9-oxofluorene-4-carbonyl)amino]pentanoate?
(2S,3R)-3-methyl-2-[(9-oxofluorene-4-carbonyl)amino]pentanoate has a molecular weight of 336.37 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-methyl-2-[(9-oxofluorene-4-carbonyl)amino]pentanoate is sourced from PubChem (CID 7618547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).