(3R)-1-[1-(4-tert-butylphenyl)cyclopropanecarbonyl]pyrrolidine-3-carboxamide

C19H26N2O2 — CID 95580273

IUPAC(3R)-1-[1-(4-tert-butylphenyl)cyclopropanecarbonyl]pyrrolidine-3-carboxamide
SMILESCC(C)(C)c1ccc(C2(C(=O)N3CC[C@@H](C(N)=O)C3)CC2)cc1
InChIInChI=1S/C19H26N2O2/c1-18(2,3)14-4-6-15(7-5-14)19(9-10-19)17(23)21-11-8-13(12-21)16(20)22/h4-7,13H,8-12H2,1-3H3,(H2,20,22)/t13-/m1/s1
InChIKeyOWGGPEGQFHGELP-CYBMUJFWSA-N
MW314.43 g/mol
LogP2.35
Rot. Bonds3

About (3R)-1-[1-(4-tert-butylphenyl)cyclopropanecarbonyl]pyrrolidine-3-carboxamide

(3R)-1-[1-(4-tert-butylphenyl)cyclopropanecarbonyl]pyrrolidine-3-carboxamide (PubChem CID 95580273) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is (3R)-1-[1-(4-tert-butylphenyl)cyclopropanecarbonyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[1-(4-tert-butylphenyl)cyclopropanecarbonyl]pyrrolidine-3-carboxamide
PubChem CID95580273
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name(3R)-1-[1-(4-tert-butylphenyl)cyclopropanecarbonyl]pyrrolidine-3-carboxamide
SMILESCC(C)(C)c1ccc(C2(C(=O)N3CC[C@@H](C(N)=O)C3)CC2)cc1
InChIInChI=1S/C19H26N2O2/c1-18(2,3)14-4-6-15(7-5-14)19(9-10-19)17(23)21-11-8-13(12-21)16(20)22/h4-7,13H,8-12H2,1-3H3,(H2,20,22)/t13-/m1/s1
InChIKeyOWGGPEGQFHGELP-CYBMUJFWSA-N
XLogP2.35
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-[1-(4-tert-butylphenyl)cyclopropanecarbonyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-[1-(4-tert-butylphenyl)cyclopropanecarbonyl]pyrrolidine-3-carboxamide (CID 95580273) is (3R)-1-[1-(4-tert-butylphenyl)cyclopropanecarbonyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[1-(4-tert-butylphenyl)cyclopropanecarbonyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-[1-(4-tert-butylphenyl)cyclopropanecarbonyl]pyrrolidine-3-carboxamide is CC(C)(C)c1ccc(C2(C(=O)N3CC[C@@H](C(N)=O)C3)CC2)cc1.
What is the InChIKey of (3R)-1-[1-(4-tert-butylphenyl)cyclopropanecarbonyl]pyrrolidine-3-carboxamide?
The InChIKey is OWGGPEGQFHGELP-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-18(2,3)14-4-6-15(7-5-14)19(9-10-19)17(23)21-11-8-13(12-21)16(20)22/h4-7,13H,8-12H2,1-3H3,(H2,20,22)/t13-/m1/s1.
What are the key properties of (3R)-1-[1-(4-tert-butylphenyl)cyclopropanecarbonyl]pyrrolidine-3-carboxamide?
(3R)-1-[1-(4-tert-butylphenyl)cyclopropanecarbonyl]pyrrolidine-3-carboxamide has a molecular weight of 314.43 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[1-(4-tert-butylphenyl)cyclopropanecarbonyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 95580273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).