trans-(1S,2R)-2-[[[(1S,2R)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopropanecarbonyl]amino]methyl]cyclopentane-1-carboxylic acid

C27H30N2O5 — CID 178195541

About trans-(1S,2R)-2-[[[(1S,2R)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopropanecarbonyl]amino]methyl]cyclopentane-1-carboxylic acid

trans-(1S,2R)-2-[[[(1S,2R)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopropanecarbonyl]amino]methyl]cyclopentane-1-carboxylic acid (PubChem CID 178195541) has the molecular formula C27H30N2O5 and a molecular weight of 462.55 g/mol. Its IUPAC name is trans-(1S,2R)-2-[[[(1S,2R)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopropanecarbonyl]amino]methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

• Compound Name: trans-(1S,2R)-2-[[[(1S,2R)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopropanecarbonyl]amino]methyl]cyclopentane-1-carboxylic acid
• PubChem CID: 178195541
• Molecular Formula: C27H30N2O5
• Molecular Weight: 462.55 g/mol
• Exact Mass: 462.22
• IUPAC Name: trans-(1S,2R)-2-[[[(1S,2R)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopropanecarbonyl]amino]methyl]cyclopentane-1-carboxylic acid
• SMILES: O=C(NC[C@@H]1C[C@@H]1C(=O)NC[C@@H]1CCC[C@@H]1C(=O)O)OCC1c2ccccc2-c2ccccc21
• InChI: InChI=1S/C27H30N2O5/c30-25(28-13-16-6-5-11-18(16)26(31)32)23-12-17(23)14-29-27(33)34-15-24-21-9-3-1-7-19(21)20-8-2-4-10-22(20)24/h1-4,7-10,16-18,23-24H,5-6,11-15H2,(H,28,30)(H,29,33)(H,31,32)/t16-,17-,18-,23-/m0/s1
• InChIKey: ADAXKZABSFYNJK-ORQYLMBXSA-N
• XLogP: 3.78
• TPSA: 104.73 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	462.55
LogP ≤ 5	3.78
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2R)-2-[[[(1S,2R)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopropanecarbonyl]amino]methyl]cyclopentane-1-carboxylic acid?

The IUPAC name of trans-(1S,2R)-2-[[[(1S,2R)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopropanecarbonyl]amino]methyl]cyclopentane-1-carboxylic acid (CID 178195541) is trans-(1S,2R)-2-[[[(1S,2R)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopropanecarbonyl]amino]methyl]cyclopentane-1-carboxylic acid.

What is the SMILES notation for trans-(1S,2R)-2-[[[(1S,2R)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopropanecarbonyl]amino]methyl]cyclopentane-1-carboxylic acid?

The canonical SMILES for trans-(1S,2R)-2-[[[(1S,2R)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopropanecarbonyl]amino]methyl]cyclopentane-1-carboxylic acid is O=C(NC[C@@H]1C[C@@H]1C(=O)NC[C@@H]1CCC[C@@H]1C(=O)O)OCC1c2ccccc2-c2ccccc21.

What is the InChIKey of trans-(1S,2R)-2-[[[(1S,2R)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopropanecarbonyl]amino]methyl]cyclopentane-1-carboxylic acid?

The InChIKey is ADAXKZABSFYNJK-ORQYLMBXSA-N. The full InChI is InChI=1S/C27H30N2O5/c30-25(28-13-16-6-5-11-18(16)26(31)32)23-12-17(23)14-29-27(33)34-15-24-21-9-3-1-7-19(21)20-8-2-4-10-22(20)24/h1-4,7-10,16-18,23-24H,5-6,11-15H2,(H,28,30)(H,29,33)(H,31,32)/t16-,17-,18-,23-/m0/s1.

What are the key properties of trans-(1S,2R)-2-[[[(1S,2R)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopropanecarbonyl]amino]methyl]cyclopentane-1-carboxylic acid?

trans-(1S,2R)-2-[[[(1S,2R)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopropanecarbonyl]amino]methyl]cyclopentane-1-carboxylic acid has a molecular weight of 462.55 g/mol, XLogP of 3.78, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for trans-(1S,2R)-2-[[[(1S,2R)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopropanecarbonyl]amino]methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 178195541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).