(2S,3S)-2-[[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]methyl]oxolane-3-carboxylic acid

C26H29NO5 — CID 178194311

IUPAC(2S,3S)-2-[[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]methyl]oxolane-3-carboxylic acid
SMILESO=C(O)[C@H]1CCO[C@H]1CC1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1
InChIInChI=1S/C26H29NO5/c28-25(29)22-11-14-31-24(22)15-17-9-12-27(13-10-17)26(30)32-16-23-20-7-3-1-5-18(20)19-6-2-4-8-21(19)23/h1-8,17,22-24H,9-16H2,(H,28,29)/t22-,24-/m0/s1
InChIKeyRKURQBACDYHYMA-UPVQGACJSA-N
MW435.52 g/mol
LogP4.53
Rot. Bonds5

About (2S,3S)-2-[[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]methyl]oxolane-3-carboxylic acid

(2S,3S)-2-[[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]methyl]oxolane-3-carboxylic acid (PubChem CID 178194311) has the molecular formula C26H29NO5 and a molecular weight of 435.52 g/mol. Its IUPAC name is (2S,3S)-2-[[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]methyl]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name(2S,3S)-2-[[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]methyl]oxolane-3-carboxylic acid
PubChem CID178194311
Molecular FormulaC26H29NO5
Molecular Weight435.52 g/mol
Exact Mass435.20
IUPAC Name(2S,3S)-2-[[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]methyl]oxolane-3-carboxylic acid
SMILESO=C(O)[C@H]1CCO[C@H]1CC1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1
InChIInChI=1S/C26H29NO5/c28-25(29)22-11-14-31-24(22)15-17-9-12-27(13-10-17)26(30)32-16-23-20-7-3-1-5-18(20)19-6-2-4-8-21(19)23/h1-8,17,22-24H,9-16H2,(H,28,29)/t22-,24-/m0/s1
InChIKeyRKURQBACDYHYMA-UPVQGACJSA-N
XLogP4.53
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.52
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

9H-fluoren-9-ylmethyl 4-(hydroxymethyl)piperidine-1-carboxylate
CID 63310303
9H-fluoren-9-ylmethyl 4-benzylpiperidine-1-carboxylate
CID 102221470
[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]methylazanium
CID 7010657
1-[4-(9H-fluoren-9-ylmethoxycarbonyl)piperazine-1-carbonyl]piperidine-4-carboxylic acid
CID 125423518
(3S,4S)-3-amino-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid
CID 167735642
9H-fluoren-9-ylmethyl 4-(hydroxymethyl)azepane-1-carboxylate
CID 130858128
1-(9H-fluoren-9-ylmethoxycarbonyl)-4-phenylpiperidine-3-carboxylic acid
CID 53395529
9H-fluoren-9-ylmethyl 1,1-dioxo-1,4-thiazinane-4-carboxylate
CID 58283098
9H-fluoren-9-ylmethyl 3-aminopyrrolidine-1-carboxylate
CID 2756439
9H-fluoren-9-ylmethyl 4-acetylpiperazine-1-carboxylate
CID 59751608
9H-fluoren-9-ylmethyl 4-[3-(1-methylpiperidin-4-yl)propyl]piperidine-1-carboxylate
CID 139393952
9H-fluoren-9-ylmethyl 4-carbonochloridoylpiperidine-1-carboxylate
CID 86647451

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-[[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]methyl]oxolane-3-carboxylic acid?
The IUPAC name of (2S,3S)-2-[[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]methyl]oxolane-3-carboxylic acid (CID 178194311) is (2S,3S)-2-[[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]methyl]oxolane-3-carboxylic acid.
What is the SMILES notation for (2S,3S)-2-[[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]methyl]oxolane-3-carboxylic acid?
The canonical SMILES for (2S,3S)-2-[[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]methyl]oxolane-3-carboxylic acid is O=C(O)[C@H]1CCO[C@H]1CC1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1.
What is the InChIKey of (2S,3S)-2-[[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]methyl]oxolane-3-carboxylic acid?
The InChIKey is RKURQBACDYHYMA-UPVQGACJSA-N. The full InChI is InChI=1S/C26H29NO5/c28-25(29)22-11-14-31-24(22)15-17-9-12-27(13-10-17)26(30)32-16-23-20-7-3-1-5-18(20)19-6-2-4-8-21(19)23/h1-8,17,22-24H,9-16H2,(H,28,29)/t22-,24-/m0/s1.
What are the key properties of (2S,3S)-2-[[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]methyl]oxolane-3-carboxylic acid?
(2S,3S)-2-[[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]methyl]oxolane-3-carboxylic acid has a molecular weight of 435.52 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-[[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]methyl]oxolane-3-carboxylic acid is sourced from PubChem (CID 178194311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).