2-[[(1R,3R,5R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)bicyclo[3.1.0]hexane-1-carbonyl]-methylamino]acetic acid

C25H26N2O5 — CID 178198494

IUPAC2-[[(1R,3R,5R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)bicyclo[3.1.0]hexane-1-carbonyl]-methylamino]acetic acid
SMILESCN(CC(=O)O)C(=O)[C@]12C[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)C[C@H]1C2
InChIInChI=1S/C25H26N2O5/c1-27(13-22(28)29)23(30)25-11-15(25)10-16(12-25)26-24(31)32-14-21-19-8-4-2-6-17(19)18-7-3-5-9-20(18)21/h2-9,15-16,21H,10-14H2,1H3,(H,26,31)(H,28,29)/t15-,16+,25+/m0/s1
InChIKeyQVWGXUMEBITSAN-JAUXOLPYSA-N
MW434.49 g/mol
LogP3.24
Rot. Bonds6

About 2-[[(1R,3R,5R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)bicyclo[3.1.0]hexane-1-carbonyl]-methylamino]acetic acid

2-[[(1R,3R,5R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)bicyclo[3.1.0]hexane-1-carbonyl]-methylamino]acetic acid (PubChem CID 178198494) has the molecular formula C25H26N2O5 and a molecular weight of 434.49 g/mol. Its IUPAC name is 2-[[(1R,3R,5R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)bicyclo[3.1.0]hexane-1-carbonyl]-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[(1R,3R,5R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)bicyclo[3.1.0]hexane-1-carbonyl]-methylamino]acetic acid
PubChem CID178198494
Molecular FormulaC25H26N2O5
Molecular Weight434.49 g/mol
Exact Mass434.18
IUPAC Name2-[[(1R,3R,5R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)bicyclo[3.1.0]hexane-1-carbonyl]-methylamino]acetic acid
SMILESCN(CC(=O)O)C(=O)[C@]12C[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)C[C@H]1C2
InChIInChI=1S/C25H26N2O5/c1-27(13-22(28)29)23(30)25-11-15(25)10-16(12-25)26-24(31)32-14-21-19-8-4-2-6-17(19)18-7-3-5-9-20(18)21/h2-9,15-16,21H,10-14H2,1H3,(H,26,31)(H,28,29)/t15-,16+,25+/m0/s1
InChIKeyQVWGXUMEBITSAN-JAUXOLPYSA-N
XLogP3.24
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.49
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[(1R,3R,5R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)bicyclo[3.1.0]hexane-1-carbonyl]-methylamino]acetic acid with MolForge

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Related Compounds

2-[[(1R,3R,5R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)bicyclo[3.1.0]hexane-1-carbonyl]-propan-2-ylamino]acetic acid
CID 178193254
(2S)-2-[[(1R,3R,5R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)bicyclo[3.1.0]hexane-1-carbonyl]-methylamino]propanoic acid
CID 178191825
2-[[(1R,3R,5R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)bicyclo[3.1.0]hexane-1-carbonyl]-prop-2-ynylamino]acetic acid
CID 178192798
3-[[(1R,3R,5R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)bicyclo[3.1.0]hexane-1-carbonyl]amino]pentanoic acid
CID 178199011
cis-(1S,3R)-3-[[(1R,3R,5R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)bicyclo[3.1.0]hexane-1-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 178192652
3-[1-[(1R,3R,5R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)bicyclo[3.1.0]hexane-1-carbonyl]azetidin-3-yl]propanoic acid
CID 178202494
(2S)-2-[[(1R,3R,5R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)bicyclo[3.1.0]hexane-1-carbonyl]amino]-3-methoxypropanoic acid
CID 178193627
(1R,3R,5R)-3-[[1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]amino]bicyclo[3.1.0]hexane-1-carboxylic acid
CID 178192576
2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]-methylamino]acetic acid
CID 73291902
2-[ethyl-[2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclobutyl]acetyl]amino]acetic acid
CID 165494795
6-(9H-fluoren-9-ylmethoxycarbonylamino)spiro[2.5]octane-2-carboxylic acid
CID 165466142
9H-fluoren-9-ylmethyl N-piperidin-4-ylcarbamate
CID 2756219

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R,3R,5R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)bicyclo[3.1.0]hexane-1-carbonyl]-methylamino]acetic acid?
The IUPAC name of 2-[[(1R,3R,5R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)bicyclo[3.1.0]hexane-1-carbonyl]-methylamino]acetic acid (CID 178198494) is 2-[[(1R,3R,5R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)bicyclo[3.1.0]hexane-1-carbonyl]-methylamino]acetic acid.
What is the SMILES notation for 2-[[(1R,3R,5R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)bicyclo[3.1.0]hexane-1-carbonyl]-methylamino]acetic acid?
The canonical SMILES for 2-[[(1R,3R,5R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)bicyclo[3.1.0]hexane-1-carbonyl]-methylamino]acetic acid is CN(CC(=O)O)C(=O)[C@]12C[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)C[C@H]1C2.
What is the InChIKey of 2-[[(1R,3R,5R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)bicyclo[3.1.0]hexane-1-carbonyl]-methylamino]acetic acid?
The InChIKey is QVWGXUMEBITSAN-JAUXOLPYSA-N. The full InChI is InChI=1S/C25H26N2O5/c1-27(13-22(28)29)23(30)25-11-15(25)10-16(12-25)26-24(31)32-14-21-19-8-4-2-6-17(19)18-7-3-5-9-20(18)21/h2-9,15-16,21H,10-14H2,1H3,(H,26,31)(H,28,29)/t15-,16+,25+/m0/s1.
What are the key properties of 2-[[(1R,3R,5R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)bicyclo[3.1.0]hexane-1-carbonyl]-methylamino]acetic acid?
2-[[(1R,3R,5R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)bicyclo[3.1.0]hexane-1-carbonyl]-methylamino]acetic acid has a molecular weight of 434.49 g/mol, XLogP of 3.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R,3R,5R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)bicyclo[3.1.0]hexane-1-carbonyl]-methylamino]acetic acid is sourced from PubChem (CID 178198494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).