3-[1-[(1R,3R,5R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)bicyclo[3.1.0]hexane-1-carbonyl]azetidin-3-yl]propanoic acid

C28H30N2O5 — CID 178202494

About 3-[1-[(1R,3R,5R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)bicyclo[3.1.0]hexane-1-carbonyl]azetidin-3-yl]propanoic acid

3-[1-[(1R,3R,5R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)bicyclo[3.1.0]hexane-1-carbonyl]azetidin-3-yl]propanoic acid (PubChem CID 178202494) has the molecular formula C28H30N2O5 and a molecular weight of 474.56 g/mol. Its IUPAC name is 3-[1-[(1R,3R,5R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)bicyclo[3.1.0]hexane-1-carbonyl]azetidin-3-yl]propanoic acid.

Molecular Properties

• Compound Name: 3-[1-[(1R,3R,5R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)bicyclo[3.1.0]hexane-1-carbonyl]azetidin-3-yl]propanoic acid
• PubChem CID: 178202494
• Molecular Formula: C28H30N2O5
• Molecular Weight: 474.56 g/mol
• Exact Mass: 474.22
• IUPAC Name: 3-[1-[(1R,3R,5R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)bicyclo[3.1.0]hexane-1-carbonyl]azetidin-3-yl]propanoic acid
• SMILES: O=C(O)CCC1CN(C(=O)[C@]23C[C@H](NC(=O)OCC4c5ccccc5-c5ccccc54)C[C@H]2C3)C1
• InChI: InChI=1S/C28H30N2O5/c31-25(32)10-9-17-14-30(15-17)26(33)28-12-18(28)11-19(13-28)29-27(34)35-16-24-22-7-3-1-5-20(22)21-6-2-4-8-23(21)24/h1-8,17-19,24H,9-16H2,(H,29,34)(H,31,32)/t18-,19+,28+/m0/s1
• InChIKey: BHIFWRICSUQNSU-DORSKGMSSA-N
• XLogP: 4.02
• TPSA: 95.94 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	474.56
LogP ≤ 5	4.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(1R,3R,5R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)bicyclo[3.1.0]hexane-1-carbonyl]azetidin-3-yl]propanoic acid?

The IUPAC name of 3-[1-[(1R,3R,5R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)bicyclo[3.1.0]hexane-1-carbonyl]azetidin-3-yl]propanoic acid (CID 178202494) is 3-[1-[(1R,3R,5R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)bicyclo[3.1.0]hexane-1-carbonyl]azetidin-3-yl]propanoic acid.

What is the SMILES notation for 3-[1-[(1R,3R,5R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)bicyclo[3.1.0]hexane-1-carbonyl]azetidin-3-yl]propanoic acid?

The canonical SMILES for 3-[1-[(1R,3R,5R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)bicyclo[3.1.0]hexane-1-carbonyl]azetidin-3-yl]propanoic acid is O=C(O)CCC1CN(C(=O)[C@]23C[C@H](NC(=O)OCC4c5ccccc5-c5ccccc54)C[C@H]2C3)C1.

What is the InChIKey of 3-[1-[(1R,3R,5R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)bicyclo[3.1.0]hexane-1-carbonyl]azetidin-3-yl]propanoic acid?

The InChIKey is BHIFWRICSUQNSU-DORSKGMSSA-N. The full InChI is InChI=1S/C28H30N2O5/c31-25(32)10-9-17-14-30(15-17)26(33)28-12-18(28)11-19(13-28)29-27(34)35-16-24-22-7-3-1-5-20(22)21-6-2-4-8-23(21)24/h1-8,17-19,24H,9-16H2,(H,29,34)(H,31,32)/t18-,19+,28+/m0/s1.

What are the key properties of 3-[1-[(1R,3R,5R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)bicyclo[3.1.0]hexane-1-carbonyl]azetidin-3-yl]propanoic acid?

3-[1-[(1R,3R,5R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)bicyclo[3.1.0]hexane-1-carbonyl]azetidin-3-yl]propanoic acid has a molecular weight of 474.56 g/mol, XLogP of 4.02, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-[(1R,3R,5R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)bicyclo[3.1.0]hexane-1-carbonyl]azetidin-3-yl]propanoic acid is sourced from PubChem (CID 178202494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).