(2S,3S)-2-cyclopropyl-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-3-carboxylic acid

C24H25NO4 — CID 178190927

IUPAC(2S,3S)-2-cyclopropyl-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-3-carboxylic acid
SMILESO=C(O)[C@H]1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@H]1C1CC1
InChIInChI=1S/C24H25NO4/c26-23(27)20-10-5-13-25(22(20)15-11-12-15)24(28)29-14-21-18-8-3-1-6-16(18)17-7-2-4-9-19(17)21/h1-4,6-9,15,20-22H,5,10-14H2,(H,26,27)/t20-,22-/m0/s1
InChIKeyNHYLDLADXIBQLC-UNMCSNQZSA-N
MW391.47 g/mol
LogP4.51
Rot. Bonds4

About (2S,3S)-2-cyclopropyl-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-3-carboxylic acid

(2S,3S)-2-cyclopropyl-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-3-carboxylic acid (PubChem CID 178190927) has the molecular formula C24H25NO4 and a molecular weight of 391.47 g/mol. Its IUPAC name is (2S,3S)-2-cyclopropyl-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(2S,3S)-2-cyclopropyl-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-3-carboxylic acid
PubChem CID178190927
Molecular FormulaC24H25NO4
Molecular Weight391.47 g/mol
Exact Mass391.18
IUPAC Name(2S,3S)-2-cyclopropyl-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-3-carboxylic acid
SMILESO=C(O)[C@H]1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@H]1C1CC1
InChIInChI=1S/C24H25NO4/c26-23(27)20-10-5-13-25(22(20)15-11-12-15)24(28)29-14-21-18-8-3-1-6-16(18)17-7-2-4-9-19(17)21/h1-4,6-9,15,20-22H,5,10-14H2,(H,26,27)/t20-,22-/m0/s1
InChIKeyNHYLDLADXIBQLC-UNMCSNQZSA-N
XLogP4.51
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidine-3-carboxylic acid
CID 141413081
(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
9H-fluoren-9-ylmethyl (2S)-2-(aminomethyl)pyrrolidine-1-carboxylate
CID 10872065
(2S,3S)-1-(9H-fluoren-9-ylmethoxycarbonyl)-3-fluoropyrrolidine-2-carboxylic acid
CID 171558951
(2R,3R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-2-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 171338123
3-O-(1,3-dioxoisoindol-2-yl) 1-O-(9H-fluoren-9-ylmethyl) (2S,3S)-2-methylpiperidine-1,3-dicarboxylate
CID 178202346
(2S,3S)-1-[4-(9H-fluoren-9-ylmethoxycarbonylamino)but-2-ynoyl]-2-methylpiperidine-3-carboxylic acid
CID 178191794
9H-fluoren-9-ylmethyl (2S)-2-(2,2,2-triphenylacetyl)pyrrolidine-1-carboxylate
CID 175704806
(2S,3R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-3-phenylmethoxypiperidine-2-carboxylic acid
CID 15521347
9H-fluoren-9-ylmethyl (2S)-2-(aminomethyl)piperidine-1-carboxylate
CID 7023267
9H-fluoren-9-ylmethyl (2R)-2-(aminomethyl)piperidine-1-carboxylate
CID 7145106

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-cyclopropyl-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-3-carboxylic acid?
The IUPAC name of (2S,3S)-2-cyclopropyl-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-3-carboxylic acid (CID 178190927) is (2S,3S)-2-cyclopropyl-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for (2S,3S)-2-cyclopropyl-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-3-carboxylic acid?
The canonical SMILES for (2S,3S)-2-cyclopropyl-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-3-carboxylic acid is O=C(O)[C@H]1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@H]1C1CC1.
What is the InChIKey of (2S,3S)-2-cyclopropyl-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-3-carboxylic acid?
The InChIKey is NHYLDLADXIBQLC-UNMCSNQZSA-N. The full InChI is InChI=1S/C24H25NO4/c26-23(27)20-10-5-13-25(22(20)15-11-12-15)24(28)29-14-21-18-8-3-1-6-16(18)17-7-2-4-9-19(17)21/h1-4,6-9,15,20-22H,5,10-14H2,(H,26,27)/t20-,22-/m0/s1.
What are the key properties of (2S,3S)-2-cyclopropyl-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-3-carboxylic acid?
(2S,3S)-2-cyclopropyl-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-3-carboxylic acid has a molecular weight of 391.47 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-cyclopropyl-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 178190927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).