cyclopropylmethyl-[2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]cyclopropyl]carbamic acid

C22H22N2O3 — CID 90214153

IUPACcyclopropylmethyl-[2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]cyclopropyl]carbamic acid
SMILESO=C1c2ccccc2CN1c1ccc(C2CC2N(CC2CC2)C(=O)O)cc1
InChIInChI=1S/C22H22N2O3/c25-21-18-4-2-1-3-16(18)13-23(21)17-9-7-15(8-10-17)19-11-20(19)24(22(26)27)12-14-5-6-14/h1-4,7-10,14,19-20H,5-6,11-13H2,(H,26,27)
InChIKeySGPWIBMKQWUUQI-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.09
Rot. Bonds5

About cyclopropylmethyl-[2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]cyclopropyl]carbamic acid

cyclopropylmethyl-[2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]cyclopropyl]carbamic acid (PubChem CID 90214153) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is cyclopropylmethyl-[2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]cyclopropyl]carbamic acid.

Molecular Properties

Compound Namecyclopropylmethyl-[2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]cyclopropyl]carbamic acid
PubChem CID90214153
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC Namecyclopropylmethyl-[2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]cyclopropyl]carbamic acid
SMILESO=C1c2ccccc2CN1c1ccc(C2CC2N(CC2CC2)C(=O)O)cc1
InChIInChI=1S/C22H22N2O3/c25-21-18-4-2-1-3-16(18)13-23(21)17-9-7-15(8-10-17)19-11-20(19)24(22(26)27)12-14-5-6-14/h1-4,7-10,14,19-20H,5-6,11-13H2,(H,26,27)
InChIKeySGPWIBMKQWUUQI-UHFFFAOYSA-N
XLogP4.09
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclopropylmethyl-[2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]cyclopropyl]carbamic acid?
The IUPAC name of cyclopropylmethyl-[2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]cyclopropyl]carbamic acid (CID 90214153) is cyclopropylmethyl-[2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]cyclopropyl]carbamic acid.
What is the SMILES notation for cyclopropylmethyl-[2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]cyclopropyl]carbamic acid?
The canonical SMILES for cyclopropylmethyl-[2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]cyclopropyl]carbamic acid is O=C1c2ccccc2CN1c1ccc(C2CC2N(CC2CC2)C(=O)O)cc1.
What is the InChIKey of cyclopropylmethyl-[2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]cyclopropyl]carbamic acid?
The InChIKey is SGPWIBMKQWUUQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3/c25-21-18-4-2-1-3-16(18)13-23(21)17-9-7-15(8-10-17)19-11-20(19)24(22(26)27)12-14-5-6-14/h1-4,7-10,14,19-20H,5-6,11-13H2,(H,26,27).
What are the key properties of cyclopropylmethyl-[2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]cyclopropyl]carbamic acid?
cyclopropylmethyl-[2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]cyclopropyl]carbamic acid has a molecular weight of 362.43 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropylmethyl-[2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]cyclopropyl]carbamic acid is sourced from PubChem (CID 90214153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).