methyl 2-[[(3aS,6aS)-5-(9H-fluoren-2-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carbonyl]amino]acetate

C24H26N2O4 — CID 170511827

IUPACmethyl 2-[[(3aS,6aS)-5-(9H-fluoren-2-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carbonyl]amino]acetate
SMILESCOC(=O)CNC(=O)[C@@]12COC[C@@H]1CN(Cc1ccc3c(c1)Cc1ccccc1-3)C2
InChIInChI=1S/C24H26N2O4/c1-29-22(27)10-25-23(28)24-14-26(12-19(24)13-30-15-24)11-16-6-7-21-18(8-16)9-17-4-2-3-5-20(17)21/h2-8,19H,9-15H2,1H3,(H,25,28)/t19-,24-/m0/s1
InChIKeyXKYUUZINJIBRCK-CYFREDJKSA-N
MW406.48 g/mol
LogP2.00
Rot. Bonds5

About methyl 2-[[(3aS,6aS)-5-(9H-fluoren-2-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carbonyl]amino]acetate

methyl 2-[[(3aS,6aS)-5-(9H-fluoren-2-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carbonyl]amino]acetate (PubChem CID 170511827) has the molecular formula C24H26N2O4 and a molecular weight of 406.48 g/mol. Its IUPAC name is methyl 2-[[(3aS,6aS)-5-(9H-fluoren-2-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carbonyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[(3aS,6aS)-5-(9H-fluoren-2-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carbonyl]amino]acetate
PubChem CID170511827
Molecular FormulaC24H26N2O4
Molecular Weight406.48 g/mol
Exact Mass406.19
IUPAC Namemethyl 2-[[(3aS,6aS)-5-(9H-fluoren-2-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carbonyl]amino]acetate
SMILESCOC(=O)CNC(=O)[C@@]12COC[C@@H]1CN(Cc1ccc3c(c1)Cc1ccccc1-3)C2
InChIInChI=1S/C24H26N2O4/c1-29-22(27)10-25-23(28)24-14-26(12-19(24)13-30-15-24)11-16-6-7-21-18(8-16)9-17-4-2-3-5-20(17)21/h2-8,19H,9-15H2,1H3,(H,25,28)/t19-,24-/m0/s1
InChIKeyXKYUUZINJIBRCK-CYFREDJKSA-N
XLogP2.00
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[[(3aS,6aS)-5-(9H-fluoren-2-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carbonyl]amino]acetate with MolForge

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Related Compounds

methyl (3aR,6aR)-5-benzyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylate
CID 172908460
formic acid;methyl 2-[[(3aS,6aS)-5-[3-(2-oxo-1-pyridinyl)propanoyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carbonyl]amino]acetate
CID 171338990
tert-butyl (3aR,6aR)-5-benzyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylate
CID 134817584
(3aR,6aR)-N-(2-methoxyethyl)-5-[(1-methylpyrazol-4-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide
CID 97474471
(3aS,6aS)-5-(pyridin-4-ylmethyl)-N-(2-thiophen-2-ylethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide
CID 124781992
(3aR,6aR)-5-(pyridin-4-ylmethyl)-N-(2-thiophen-2-ylethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 127023920
(3aR,6aR)-5-[[4-(carboxymethyl)phenyl]methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylic acid
CID 138809457
formic acid;methyl 2-[[(3aS,6aS)-5-(4-oxo-3H-quinazoline-2-carbonyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carbonyl]amino]acetate
CID 171338656
(3aR,6aR)-N-(pyridin-2-ylmethyl)-5-(pyridin-3-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide;tris(2,2,2-trifluoroacetic acid)
CID 127022519
N-[[8-(9H-fluoren-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-methoxyacetamide
CID 45173060
(3aR,6aR)-N-(3,3-difluorocyclobutyl)-5-(thiophen-3-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide
CID 97422365
methyl (3aS,6aS)-5-[2-(1,3-dihydroisoindol-2-yl)acetyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylate
CID 162626555

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(3aS,6aS)-5-(9H-fluoren-2-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carbonyl]amino]acetate?
The IUPAC name of methyl 2-[[(3aS,6aS)-5-(9H-fluoren-2-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carbonyl]amino]acetate (CID 170511827) is methyl 2-[[(3aS,6aS)-5-(9H-fluoren-2-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carbonyl]amino]acetate.
What is the SMILES notation for methyl 2-[[(3aS,6aS)-5-(9H-fluoren-2-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carbonyl]amino]acetate?
The canonical SMILES for methyl 2-[[(3aS,6aS)-5-(9H-fluoren-2-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carbonyl]amino]acetate is COC(=O)CNC(=O)[C@@]12COC[C@@H]1CN(Cc1ccc3c(c1)Cc1ccccc1-3)C2.
What is the InChIKey of methyl 2-[[(3aS,6aS)-5-(9H-fluoren-2-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carbonyl]amino]acetate?
The InChIKey is XKYUUZINJIBRCK-CYFREDJKSA-N. The full InChI is InChI=1S/C24H26N2O4/c1-29-22(27)10-25-23(28)24-14-26(12-19(24)13-30-15-24)11-16-6-7-21-18(8-16)9-17-4-2-3-5-20(17)21/h2-8,19H,9-15H2,1H3,(H,25,28)/t19-,24-/m0/s1.
What are the key properties of methyl 2-[[(3aS,6aS)-5-(9H-fluoren-2-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carbonyl]amino]acetate?
methyl 2-[[(3aS,6aS)-5-(9H-fluoren-2-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carbonyl]amino]acetate has a molecular weight of 406.48 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(3aS,6aS)-5-(9H-fluoren-2-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carbonyl]amino]acetate is sourced from PubChem (CID 170511827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).