(2R,3S)-1-(9H-fluorene-2-carbonyl)piperazine-2,3-dicarboxylic acid

C20H18N2O5 — CID 11245520

IUPAC(2R,3S)-1-(9H-fluorene-2-carbonyl)piperazine-2,3-dicarboxylic acid
SMILESO=C(O)[C@H]1NCCN(C(=O)c2ccc3c(c2)Cc2ccccc2-3)[C@H]1C(=O)O
InChIInChI=1S/C20H18N2O5/c23-18(22-8-7-21-16(19(24)25)17(22)20(26)27)12-5-6-15-13(10-12)9-11-3-1-2-4-14(11)15/h1-6,10,16-17,21H,7-9H2,(H,24,25)(H,26,27)/t16-,17+/m0/s1
InChIKeyNLHFBKTUWJUOKV-DLBZAZTESA-N
MW366.37 g/mol
LogP1.21
Rot. Bonds3

About (2R,3S)-1-(9H-fluorene-2-carbonyl)piperazine-2,3-dicarboxylic acid

(2R,3S)-1-(9H-fluorene-2-carbonyl)piperazine-2,3-dicarboxylic acid (PubChem CID 11245520) has the molecular formula C20H18N2O5 and a molecular weight of 366.37 g/mol. Its IUPAC name is (2R,3S)-1-(9H-fluorene-2-carbonyl)piperazine-2,3-dicarboxylic acid.

Molecular Properties

Compound Name(2R,3S)-1-(9H-fluorene-2-carbonyl)piperazine-2,3-dicarboxylic acid
PubChem CID11245520
Molecular FormulaC20H18N2O5
Molecular Weight366.37 g/mol
Exact Mass366.12
IUPAC Name(2R,3S)-1-(9H-fluorene-2-carbonyl)piperazine-2,3-dicarboxylic acid
SMILESO=C(O)[C@H]1NCCN(C(=O)c2ccc3c(c2)Cc2ccccc2-3)[C@H]1C(=O)O
InChIInChI=1S/C20H18N2O5/c23-18(22-8-7-21-16(19(24)25)17(22)20(26)27)12-5-6-15-13(10-12)9-11-3-1-2-4-14(11)15/h1-6,10,16-17,21H,7-9H2,(H,24,25)(H,26,27)/t16-,17+/m0/s1
InChIKeyNLHFBKTUWJUOKV-DLBZAZTESA-N
XLogP1.21
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-1-(9H-fluorene-2-carbonyl)piperazine-2,3-dicarboxylic acid?
The IUPAC name of (2R,3S)-1-(9H-fluorene-2-carbonyl)piperazine-2,3-dicarboxylic acid (CID 11245520) is (2R,3S)-1-(9H-fluorene-2-carbonyl)piperazine-2,3-dicarboxylic acid.
What is the SMILES notation for (2R,3S)-1-(9H-fluorene-2-carbonyl)piperazine-2,3-dicarboxylic acid?
The canonical SMILES for (2R,3S)-1-(9H-fluorene-2-carbonyl)piperazine-2,3-dicarboxylic acid is O=C(O)[C@H]1NCCN(C(=O)c2ccc3c(c2)Cc2ccccc2-3)[C@H]1C(=O)O.
What is the InChIKey of (2R,3S)-1-(9H-fluorene-2-carbonyl)piperazine-2,3-dicarboxylic acid?
The InChIKey is NLHFBKTUWJUOKV-DLBZAZTESA-N. The full InChI is InChI=1S/C20H18N2O5/c23-18(22-8-7-21-16(19(24)25)17(22)20(26)27)12-5-6-15-13(10-12)9-11-3-1-2-4-14(11)15/h1-6,10,16-17,21H,7-9H2,(H,24,25)(H,26,27)/t16-,17+/m0/s1.
What are the key properties of (2R,3S)-1-(9H-fluorene-2-carbonyl)piperazine-2,3-dicarboxylic acid?
(2R,3S)-1-(9H-fluorene-2-carbonyl)piperazine-2,3-dicarboxylic acid has a molecular weight of 366.37 g/mol, XLogP of 1.21, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-1-(9H-fluorene-2-carbonyl)piperazine-2,3-dicarboxylic acid is sourced from PubChem (CID 11245520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).