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

C26H28N2O6 — CID 178195889

IUPAC1-[(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)[C@H]2OCC[C@H]2NC(=O)OCC2c3ccccc3-c3ccccc32)C1
InChIInChI=1S/C26H28N2O6/c1-26(24(30)31)11-12-28(15-26)23(29)22-21(10-13-33-22)27-25(32)34-14-20-18-8-4-2-6-16(18)17-7-3-5-9-19(17)20/h2-9,20-22H,10-15H2,1H3,(H,27,32)(H,30,31)/t21-,22+,26?/m1/s1
InChIKeyJAKAFBJYOHDDFB-SGNGHUOJSA-N
MW464.52 g/mol
LogP3.01
Rot. Bonds5

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

1-[(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]-3-methylpyrrolidine-3-carboxylic acid (PubChem CID 178195889) has the molecular formula C26H28N2O6 and a molecular weight of 464.52 g/mol. Its IUPAC name is 1-[(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]-3-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
PubChem CID178195889
Molecular FormulaC26H28N2O6
Molecular Weight464.52 g/mol
Exact Mass464.19
IUPAC Name1-[(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)[C@H]2OCC[C@H]2NC(=O)OCC2c3ccccc3-c3ccccc32)C1
InChIInChI=1S/C26H28N2O6/c1-26(24(30)31)11-12-28(15-26)23(29)22-21(10-13-33-22)27-25(32)34-14-20-18-8-4-2-6-16(18)17-7-3-5-9-19(17)20/h2-9,20-22H,10-15H2,1H3,(H,27,32)(H,30,31)/t21-,22+,26?/m1/s1
InChIKeyJAKAFBJYOHDDFB-SGNGHUOJSA-N
XLogP3.01
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.52
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2S,3S)-3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]oxolane-2-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 178193340
1-[(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]-3,6-dihydro-2H-pyridine-4-carboxylic acid
CID 178196331
1-[(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]-2-methylpyrrolidine-3-carboxylic acid
CID 178195988
(2S,3S)-1-[3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]-2-methylpiperidine-3-carboxylic acid
CID 178192293
2-[(3S,4S)-1-[(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]-4-methylpyrrolidin-3-yl]acetic acid
CID 178196197
1-[(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]-3-methoxypyrrolidine-3-carboxylic acid
CID 178195934
1-[(1S,2R)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopropanecarbonyl]-3-methylpiperidine-3-carboxylic acid
CID 178195821
2-[(2R)-1-[(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]piperidin-2-yl]acetic acid
CID 178193554
2-[1-[[(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]amino]cyclopropyl]acetic acid
CID 178195834
5-[[(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]amino]-1-methylpyrazole-3-carboxylic acid
CID 178191736
(2S)-1-[(2S,3S)-3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]oxolane-2-carbonyl]-2-methylpyrrolidine-2-carboxylic acid
CID 178192557
2-[[(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]-methylamino]-2-methylpropanoic acid
CID 178202462

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]-3-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]-3-methylpyrrolidine-3-carboxylic acid (CID 178195889) is 1-[(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]-3-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]-3-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]-3-methylpyrrolidine-3-carboxylic acid is CC1(C(=O)O)CCN(C(=O)[C@H]2OCC[C@H]2NC(=O)OCC2c3ccccc3-c3ccccc32)C1.
What is the InChIKey of 1-[(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]-3-methylpyrrolidine-3-carboxylic acid?
The InChIKey is JAKAFBJYOHDDFB-SGNGHUOJSA-N. The full InChI is InChI=1S/C26H28N2O6/c1-26(24(30)31)11-12-28(15-26)23(29)22-21(10-13-33-22)27-25(32)34-14-20-18-8-4-2-6-16(18)17-7-3-5-9-19(17)20/h2-9,20-22H,10-15H2,1H3,(H,27,32)(H,30,31)/t21-,22+,26?/m1/s1.
What are the key properties of 1-[(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]-3-methylpyrrolidine-3-carboxylic acid?
1-[(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]-3-methylpyrrolidine-3-carboxylic acid has a molecular weight of 464.52 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]-3-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 178195889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).