1-[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid

C25H28N2O4 — CID 2756124

IUPAC1-[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1
InChIInChI=1S/C25H28N2O4/c28-24(29)23-10-5-13-27(23)17-11-14-26(15-12-17)25(30)31-16-22-20-8-3-1-6-18(20)19-7-2-4-9-21(19)22/h1-4,6-9,17,22-23H,5,10-16H2,(H,28,29)
InChIKeyBHVHQIAGXJUFQW-UHFFFAOYSA-N
MW420.51 g/mol
LogP3.95
Rot. Bonds4

About 1-[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid

1-[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid (PubChem CID 2756124) has the molecular formula C25H28N2O4 and a molecular weight of 420.51 g/mol. Its IUPAC name is 1-[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid
PubChem CID2756124
Molecular FormulaC25H28N2O4
Molecular Weight420.51 g/mol
Exact Mass420.20
IUPAC Name1-[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1
InChIInChI=1S/C25H28N2O4/c28-24(29)23-10-5-13-27(23)17-11-14-26(15-12-17)25(30)31-16-22-20-8-3-1-6-18(20)19-7-2-4-9-21(19)22/h1-4,6-9,17,22-23H,5,10-16H2,(H,28,29)
InChIKeyBHVHQIAGXJUFQW-UHFFFAOYSA-N
XLogP3.95
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-[(2R)-1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 96531841
(2R)-1-(9H-fluoren-9-ylmethoxycarbonyl)azepane-2-carboxylic acid
CID 96567444
1-[4-(9H-fluoren-9-ylmethoxycarbonyl)piperazine-1-carbonyl]piperidine-4-carboxylic acid
CID 125423518
9H-fluoren-9-ylmethyl 4-(hydroxymethyl)azepane-1-carboxylate
CID 130858128
9H-fluoren-9-ylmethyl 4-(hydroxymethyl)piperidine-1-carboxylate
CID 63310303
9H-fluoren-9-ylmethyl 4-acetylpiperazine-1-carboxylate
CID 59751608
9H-fluoren-9-ylmethyl 4-benzylpiperidine-1-carboxylate
CID 102221470
9H-fluoren-9-ylmethyl 4-carbonochloridoylpiperidine-1-carboxylate
CID 86647451
9H-fluoren-9-ylmethyl 4-cyanopiperidine-1-carboxylate
CID 2757965
[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]methylazanium
CID 7010657
1-[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]pyrazole-3-carboxylic acid
CID 125453219
(3S,4S)-3-amino-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid
CID 167735642

Frequently Asked Questions

What is the IUPAC name of 1-[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid (CID 2756124) is 1-[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1C1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1.
What is the InChIKey of 1-[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid?
The InChIKey is BHVHQIAGXJUFQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O4/c28-24(29)23-10-5-13-27(23)17-11-14-26(15-12-17)25(30)31-16-22-20-8-3-1-6-18(20)19-7-2-4-9-21(19)22/h1-4,6-9,17,22-23H,5,10-16H2,(H,28,29).
What are the key properties of 1-[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid?
1-[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid has a molecular weight of 420.51 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 2756124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).