(3R,4R)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-1-hydroxy-2,2,6,6-tetramethylpiperidine-3-carboxylic acid

C25H30N2O5 — CID 46781668

IUPAC(3R,4R)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-1-hydroxy-2,2,6,6-tetramethylpiperidine-3-carboxylic acid
SMILESCC1(C)C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)[C@@H](C(=O)O)C(C)(C)N1O
InChIInChI=1S/C25H30N2O5/c1-24(2)13-20(21(22(28)29)25(3,4)27(24)31)26-23(30)32-14-19-17-11-7-5-9-15(17)16-10-6-8-12-18(16)19/h5-12,19-21,31H,13-14H2,1-4H3,(H,26,30)(H,28,29)/t20-,21+/m1/s1
InChIKeyFEDYWNJTEUNDMB-RTWAWAEBSA-N
MW438.52 g/mol
LogP4.25
Rot. Bonds4

About (3R,4R)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-1-hydroxy-2,2,6,6-tetramethylpiperidine-3-carboxylic acid

(3R,4R)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-1-hydroxy-2,2,6,6-tetramethylpiperidine-3-carboxylic acid (PubChem CID 46781668) has the molecular formula C25H30N2O5 and a molecular weight of 438.52 g/mol. Its IUPAC name is (3R,4R)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-1-hydroxy-2,2,6,6-tetramethylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R,4R)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-1-hydroxy-2,2,6,6-tetramethylpiperidine-3-carboxylic acid
PubChem CID46781668
Molecular FormulaC25H30N2O5
Molecular Weight438.52 g/mol
Exact Mass438.22
IUPAC Name(3R,4R)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-1-hydroxy-2,2,6,6-tetramethylpiperidine-3-carboxylic acid
SMILESCC1(C)C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)[C@@H](C(=O)O)C(C)(C)N1O
InChIInChI=1S/C25H30N2O5/c1-24(2)13-20(21(22(28)29)25(3,4)27(24)31)26-23(30)32-14-19-17-11-7-5-9-15(17)16-10-6-8-12-18(16)19/h5-12,19-21,31H,13-14H2,1-4H3,(H,26,30)(H,28,29)/t20-,21+/m1/s1
InChIKeyFEDYWNJTEUNDMB-RTWAWAEBSA-N
XLogP4.25
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.52
LogP ≤ 54.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (3R,4R)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-1-hydroxy-2,2,6,6-tetramethylpiperidine-3-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

CID 101238530
CID 101238530
2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentane-1-carboxylic acid
CID 4712584
(1S,2S,3S,5R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-6,6-dimethylbicyclo[3.1.1]heptane-2-carboxylic acid
CID 102260015
9H-fluoren-9-ylmethyl N-[1-hydroxy-2,2,6-trimethyl-6-[[(1S)-2-methylcyclopropyl]methyl]piperidin-4-yl]carbamate
CID 164975405
cis-(1R,2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cycloheptane-1-carboxylic acid;cis-(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cycloheptane-1-carboxylic acid
CID 127239806
cis-(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cycloheptane-1-carboxylic acid
CID 91758019
9H-fluoren-9-ylmethyl N-[(2S)-1-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 98126653
1-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylcyclobutane-1-carboxylic acid
CID 103563616
(1R,3S,4S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-hydroxycyclopentane-1-carboxylic acid
CID 11624815
9H-fluoren-9-ylmethyl N-(2-methylcyclohexyl)carbamate
CID 70659072
2-(9H-fluoren-9-ylmethoxycarbonylamino)bicyclo[3.1.0]hexane-6-carboxylic acid
CID 165449157
(1R,5S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)bicyclo[3.2.0]heptane-3-carboxylic acid
CID 178200031

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-1-hydroxy-2,2,6,6-tetramethylpiperidine-3-carboxylic acid?
The IUPAC name of (3R,4R)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-1-hydroxy-2,2,6,6-tetramethylpiperidine-3-carboxylic acid (CID 46781668) is (3R,4R)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-1-hydroxy-2,2,6,6-tetramethylpiperidine-3-carboxylic acid.
What is the SMILES notation for (3R,4R)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-1-hydroxy-2,2,6,6-tetramethylpiperidine-3-carboxylic acid?
The canonical SMILES for (3R,4R)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-1-hydroxy-2,2,6,6-tetramethylpiperidine-3-carboxylic acid is CC1(C)C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)[C@@H](C(=O)O)C(C)(C)N1O.
What is the InChIKey of (3R,4R)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-1-hydroxy-2,2,6,6-tetramethylpiperidine-3-carboxylic acid?
The InChIKey is FEDYWNJTEUNDMB-RTWAWAEBSA-N. The full InChI is InChI=1S/C25H30N2O5/c1-24(2)13-20(21(22(28)29)25(3,4)27(24)31)26-23(30)32-14-19-17-11-7-5-9-15(17)16-10-6-8-12-18(16)19/h5-12,19-21,31H,13-14H2,1-4H3,(H,26,30)(H,28,29)/t20-,21+/m1/s1.
What are the key properties of (3R,4R)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-1-hydroxy-2,2,6,6-tetramethylpiperidine-3-carboxylic acid?
(3R,4R)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-1-hydroxy-2,2,6,6-tetramethylpiperidine-3-carboxylic acid has a molecular weight of 438.52 g/mol, XLogP of 4.25, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-1-hydroxy-2,2,6,6-tetramethylpiperidine-3-carboxylic acid is sourced from PubChem (CID 46781668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).