7-[1-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopropanecarbonyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid

C27H28N2O5 — CID 165480858

IUPAC7-[1-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopropanecarbonyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
SMILESO=C(NCC1(C(=O)N2C3CCC2C(C(=O)O)C3)CC1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C27H28N2O5/c30-24(31)21-13-16-9-10-23(21)29(16)25(32)27(11-12-27)15-28-26(33)34-14-22-19-7-3-1-5-17(19)18-6-2-4-8-20(18)22/h1-8,16,21-23H,9-15H2,(H,28,33)(H,30,31)
InChIKeySMHZVHDHBZJXDP-UHFFFAOYSA-N
MW460.53 g/mol
LogP3.77
Rot. Bonds6

About 7-[1-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopropanecarbonyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid

7-[1-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopropanecarbonyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid (PubChem CID 165480858) has the molecular formula C27H28N2O5 and a molecular weight of 460.53 g/mol. Its IUPAC name is 7-[1-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopropanecarbonyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid.

Molecular Properties

Compound Name7-[1-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopropanecarbonyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
PubChem CID165480858
Molecular FormulaC27H28N2O5
Molecular Weight460.53 g/mol
Exact Mass460.20
IUPAC Name7-[1-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopropanecarbonyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
SMILESO=C(NCC1(C(=O)N2C3CCC2C(C(=O)O)C3)CC1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C27H28N2O5/c30-24(31)21-13-16-9-10-23(21)29(16)25(32)27(11-12-27)15-28-26(33)34-14-22-19-7-3-1-5-17(19)18-6-2-4-8-20(18)22/h1-8,16,21-23H,9-15H2,(H,28,33)(H,30,31)
InChIKeySMHZVHDHBZJXDP-UHFFFAOYSA-N
XLogP3.77
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.53
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1S,2S,4R)-7-[2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethylsulfanyl]acetyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
CID 178191992
trans-(1S,2R)-2-[[[1-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopropanecarbonyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 178193712
9H-fluoren-9-ylmethyl N-[(1-carbonochloridoylcyclohexyl)methyl]carbamate
CID 118380482
(1S,2R,4R,5S)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-4,5-dihydroxycyclohexane-1-carboxylic acid
CID 155821553
4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-2,2-dimethyloxane-4-carboxylic acid
CID 165479015
2-[(1S,2R)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopropanecarbonyl]-2-azabicyclo[2.2.2]octane-6-carboxylic acid
CID 178191547
9H-fluoren-9-ylmethyl N-(2-chloro-2-oxoethyl)carbamate
CID 11758879
1-[[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]methoxymethyl]cyclopropane-1-carboxylic acid
CID 151028370
2-cyclopropyl-2-[[1-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclohexanecarbonyl]amino]acetic acid
CID 165481898
9H-fluoren-9-ylmethyl N-[(1-hydroxy-2-methylcyclopentyl)methyl]carbamate
CID 130649597
1-[2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]acetyl]-4-methylpyrrolidine-3-carboxylic acid
CID 165478066
(2R,4R)-1-[1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopropanecarbonyl]-2-methylpiperidine-4-carboxylic acid
CID 165447074

Frequently Asked Questions

What is the IUPAC name of 7-[1-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopropanecarbonyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid?
The IUPAC name of 7-[1-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopropanecarbonyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid (CID 165480858) is 7-[1-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopropanecarbonyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid.
What is the SMILES notation for 7-[1-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopropanecarbonyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid?
The canonical SMILES for 7-[1-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopropanecarbonyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid is O=C(NCC1(C(=O)N2C3CCC2C(C(=O)O)C3)CC1)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 7-[1-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopropanecarbonyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid?
The InChIKey is SMHZVHDHBZJXDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O5/c30-24(31)21-13-16-9-10-23(21)29(16)25(32)27(11-12-27)15-28-26(33)34-14-22-19-7-3-1-5-17(19)18-6-2-4-8-20(18)22/h1-8,16,21-23H,9-15H2,(H,28,33)(H,30,31).
What are the key properties of 7-[1-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopropanecarbonyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid?
7-[1-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopropanecarbonyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid has a molecular weight of 460.53 g/mol, XLogP of 3.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopropanecarbonyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid is sourced from PubChem (CID 165480858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).