(2S,3S)-1-[3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-3-carbonyl]-2-methylpiperidine-3-carboxylic acid

C27H30N2O6 — CID 178192303

IUPAC(2S,3S)-1-[3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-3-carbonyl]-2-methylpiperidine-3-carboxylic acid
SMILESC[C@H]1[C@@H](C(=O)O)CCCN1C(=O)C1(NC(=O)OCC2c3ccccc3-c3ccccc32)CCOC1
InChIInChI=1S/C27H30N2O6/c1-17-18(24(30)31)11-6-13-29(17)25(32)27(12-14-34-16-27)28-26(33)35-15-23-21-9-4-2-7-19(21)20-8-3-5-10-22(20)23/h2-5,7-10,17-18,23H,6,11-16H2,1H3,(H,28,33)(H,30,31)/t17-,18-,27?/m0/s1
InChIKeyINYGWGGZDMOODR-BVUZNYTQSA-N
MW478.55 g/mol
LogP3.40
Rot. Bonds5

About (2S,3S)-1-[3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-3-carbonyl]-2-methylpiperidine-3-carboxylic acid

(2S,3S)-1-[3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-3-carbonyl]-2-methylpiperidine-3-carboxylic acid (PubChem CID 178192303) has the molecular formula C27H30N2O6 and a molecular weight of 478.55 g/mol. Its IUPAC name is (2S,3S)-1-[3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-3-carbonyl]-2-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name(2S,3S)-1-[3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-3-carbonyl]-2-methylpiperidine-3-carboxylic acid
PubChem CID178192303
Molecular FormulaC27H30N2O6
Molecular Weight478.55 g/mol
Exact Mass478.21
IUPAC Name(2S,3S)-1-[3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-3-carbonyl]-2-methylpiperidine-3-carboxylic acid
SMILESC[C@H]1[C@@H](C(=O)O)CCCN1C(=O)C1(NC(=O)OCC2c3ccccc3-c3ccccc32)CCOC1
InChIInChI=1S/C27H30N2O6/c1-17-18(24(30)31)11-6-13-29(17)25(32)27(12-14-34-16-27)28-26(33)35-15-23-21-9-4-2-7-19(21)20-8-3-5-10-22(20)23/h2-5,7-10,17-18,23H,6,11-16H2,1H3,(H,28,33)(H,30,31)/t17-,18-,27?/m0/s1
InChIKeyINYGWGGZDMOODR-BVUZNYTQSA-N
XLogP3.40
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.55
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S,3S)-1-[3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-3-carbonyl]-2-methylpiperidine-3-carboxylic acid with MolForge

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Related Compounds

3-[3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-3-carbonyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
CID 165478140
cis-(1S,3R)-3-[[3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-3-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 178190848
(2S,3S)-1-[3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]-2-methylpiperidine-3-carboxylic acid
CID 178192293
2-[[4-(9H-fluoren-9-ylmethoxycarbonylamino)oxane-4-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 165488157
3-[1-[3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-3-carbonyl]azetidin-3-yl]propanoic acid
CID 165499462
(2S,3S)-1-[4-(9H-fluoren-9-ylmethoxycarbonylamino)but-2-ynoyl]-2-methylpiperidine-3-carboxylic acid
CID 178191794
(2R,4R)-1-[1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopropanecarbonyl]-2-methylpiperidine-4-carboxylic acid
CID 165447074
2-[4-(9H-fluoren-9-ylmethoxycarbonylamino)oxane-4-carbonyl]-2-azabicyclo[2.1.1]hexane-5-carboxylic acid
CID 165448897
(2R,3R)-1-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoyl]-2-methylpiperidine-3-carboxylic acid
CID 178198407
(2S,3S)-1-[(1S,2R)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopropanecarbonyl]-2-methylpiperidine-3-carboxylic acid
CID 178195679
9H-fluoren-9-ylmethyl N-[3-(hydroxymethyl)oxolan-3-yl]carbamate
CID 130950344
cis-(1S,2R)-2-[[1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopropanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 178191579

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-1-[3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-3-carbonyl]-2-methylpiperidine-3-carboxylic acid?
The IUPAC name of (2S,3S)-1-[3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-3-carbonyl]-2-methylpiperidine-3-carboxylic acid (CID 178192303) is (2S,3S)-1-[3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-3-carbonyl]-2-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for (2S,3S)-1-[3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-3-carbonyl]-2-methylpiperidine-3-carboxylic acid?
The canonical SMILES for (2S,3S)-1-[3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-3-carbonyl]-2-methylpiperidine-3-carboxylic acid is C[C@H]1[C@@H](C(=O)O)CCCN1C(=O)C1(NC(=O)OCC2c3ccccc3-c3ccccc32)CCOC1.
What is the InChIKey of (2S,3S)-1-[3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-3-carbonyl]-2-methylpiperidine-3-carboxylic acid?
The InChIKey is INYGWGGZDMOODR-BVUZNYTQSA-N. The full InChI is InChI=1S/C27H30N2O6/c1-17-18(24(30)31)11-6-13-29(17)25(32)27(12-14-34-16-27)28-26(33)35-15-23-21-9-4-2-7-19(21)20-8-3-5-10-22(20)23/h2-5,7-10,17-18,23H,6,11-16H2,1H3,(H,28,33)(H,30,31)/t17-,18-,27?/m0/s1.
What are the key properties of (2S,3S)-1-[3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-3-carbonyl]-2-methylpiperidine-3-carboxylic acid?
(2S,3S)-1-[3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-3-carbonyl]-2-methylpiperidine-3-carboxylic acid has a molecular weight of 478.55 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-1-[3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-3-carbonyl]-2-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 178192303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).