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

C27H30N2O6 — CID 178192293

IUPAC(2S,3S)-1-[3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]-2-methylpiperidine-3-carboxylic acid
SMILESC[C@H]1[C@@H](C(=O)O)CCCN1C(=O)C1OCCC1NC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C27H30N2O6/c1-16-17(26(31)32)11-6-13-29(16)25(30)24-23(12-14-34-24)28-27(33)35-15-22-20-9-4-2-7-18(20)19-8-3-5-10-21(19)22/h2-5,7-10,16-17,22-24H,6,11-15H2,1H3,(H,28,33)(H,31,32)/t16-,17-,23?,24?/m0/s1
InChIKeyOSPLRMLAPRXOLM-GAAJCNLQSA-N
MW478.55 g/mol
LogP3.39
Rot. Bonds5

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

(2S,3S)-1-[3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]-2-methylpiperidine-3-carboxylic acid (PubChem CID 178192293) 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-2-carbonyl]-2-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name(2S,3S)-1-[3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]-2-methylpiperidine-3-carboxylic acid
PubChem CID178192293
Molecular FormulaC27H30N2O6
Molecular Weight478.55 g/mol
Exact Mass478.21
IUPAC Name(2S,3S)-1-[3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]-2-methylpiperidine-3-carboxylic acid
SMILESC[C@H]1[C@@H](C(=O)O)CCCN1C(=O)C1OCCC1NC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C27H30N2O6/c1-16-17(26(31)32)11-6-13-29(16)25(30)24-23(12-14-34-24)28-27(33)35-15-22-20-9-4-2-7-18(20)19-8-3-5-10-21(19)22/h2-5,7-10,16-17,22-24H,6,11-15H2,1H3,(H,28,33)(H,31,32)/t16-,17-,23?,24?/m0/s1
InChIKeyOSPLRMLAPRXOLM-GAAJCNLQSA-N
XLogP3.39
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 ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]-2-methylpyrrolidine-3-carboxylic acid
CID 178195988
2-[(2R)-1-[(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]piperidin-2-yl]acetic acid
CID 178193554
cis-(1S,2R)-2-[[3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 178193574
(2S,3S)-1-[(1S,2R)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopropanecarbonyl]-2-methylpiperidine-3-carboxylic acid
CID 178195679
2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentane-1-carboxylic acid
CID 4712584
1-[(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 178195889
(2S,3S)-1-[3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-3-carbonyl]-2-methylpiperidine-3-carboxylic acid
CID 178192303
cis-(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cycloheptane-1-carboxylic acid
CID 91758019
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
(2S,3S)-1-[4-(9H-fluoren-9-ylmethoxycarbonylamino)but-2-ynoyl]-2-methylpiperidine-3-carboxylic acid
CID 178191794
(2S,3S)-1-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentanoyl]-2-methylpiperidine-3-carboxylic acid
CID 165448778
1-[(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]-3,6-dihydro-2H-pyridine-4-carboxylic acid
CID 178196331

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-1-[3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]-2-methylpiperidine-3-carboxylic acid?
The IUPAC name of (2S,3S)-1-[3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]-2-methylpiperidine-3-carboxylic acid (CID 178192293) is (2S,3S)-1-[3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]-2-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for (2S,3S)-1-[3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]-2-methylpiperidine-3-carboxylic acid?
The canonical SMILES for (2S,3S)-1-[3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]-2-methylpiperidine-3-carboxylic acid is C[C@H]1[C@@H](C(=O)O)CCCN1C(=O)C1OCCC1NC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of (2S,3S)-1-[3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]-2-methylpiperidine-3-carboxylic acid?
The InChIKey is OSPLRMLAPRXOLM-GAAJCNLQSA-N. The full InChI is InChI=1S/C27H30N2O6/c1-16-17(26(31)32)11-6-13-29(16)25(30)24-23(12-14-34-24)28-27(33)35-15-22-20-9-4-2-7-18(20)19-8-3-5-10-21(19)22/h2-5,7-10,16-17,22-24H,6,11-15H2,1H3,(H,28,33)(H,31,32)/t16-,17-,23?,24?/m0/s1.
What are the key properties of (2S,3S)-1-[3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]-2-methylpiperidine-3-carboxylic acid?
(2S,3S)-1-[3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]-2-methylpiperidine-3-carboxylic acid has a molecular weight of 478.55 g/mol, XLogP of 3.39, 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-2-carbonyl]-2-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 178192293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).