(7aR)-2-[4-[1-(2-amino-2-oxoethyl)cyclobutyl]phenyl]-3-oxo-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide

C19H24N4O3 — CID 18447818

IUPAC(7aR)-2-[4-[1-(2-amino-2-oxoethyl)cyclobutyl]phenyl]-3-oxo-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide
SMILESNC(=O)CC1(c2ccc(N3C[C@@]4(C(N)=O)CCCN4C3=O)cc2)CCC1
InChIInChI=1S/C19H24N4O3/c20-15(24)11-18(7-1-8-18)13-3-5-14(6-4-13)22-12-19(16(21)25)9-2-10-23(19)17(22)26/h3-6H,1-2,7-12H2,(H2,20,24)(H2,21,25)/t19-/m1/s1
InChIKeyUPTDLVOBEMLINZ-LJQANCHMSA-N
MW356.43 g/mol
LogP1.24
Rot. Bonds5

About (7aR)-2-[4-[1-(2-amino-2-oxoethyl)cyclobutyl]phenyl]-3-oxo-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide

(7aR)-2-[4-[1-(2-amino-2-oxoethyl)cyclobutyl]phenyl]-3-oxo-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide (PubChem CID 18447818) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is (7aR)-2-[4-[1-(2-amino-2-oxoethyl)cyclobutyl]phenyl]-3-oxo-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide.

Molecular Properties

Compound Name(7aR)-2-[4-[1-(2-amino-2-oxoethyl)cyclobutyl]phenyl]-3-oxo-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide
PubChem CID18447818
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name(7aR)-2-[4-[1-(2-amino-2-oxoethyl)cyclobutyl]phenyl]-3-oxo-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide
SMILESNC(=O)CC1(c2ccc(N3C[C@@]4(C(N)=O)CCCN4C3=O)cc2)CCC1
InChIInChI=1S/C19H24N4O3/c20-15(24)11-18(7-1-8-18)13-3-5-14(6-4-13)22-12-19(16(21)25)9-2-10-23(19)17(22)26/h3-6H,1-2,7-12H2,(H2,20,24)(H2,21,25)/t19-/m1/s1
InChIKeyUPTDLVOBEMLINZ-LJQANCHMSA-N
XLogP1.24
TPSA109.73 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (7aR)-2-[4-[1-(2-amino-2-oxoethyl)cyclobutyl]phenyl]-3-oxo-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide?
The IUPAC name of (7aR)-2-[4-[1-(2-amino-2-oxoethyl)cyclobutyl]phenyl]-3-oxo-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide (CID 18447818) is (7aR)-2-[4-[1-(2-amino-2-oxoethyl)cyclobutyl]phenyl]-3-oxo-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide.
What is the SMILES notation for (7aR)-2-[4-[1-(2-amino-2-oxoethyl)cyclobutyl]phenyl]-3-oxo-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide?
The canonical SMILES for (7aR)-2-[4-[1-(2-amino-2-oxoethyl)cyclobutyl]phenyl]-3-oxo-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide is NC(=O)CC1(c2ccc(N3C[C@@]4(C(N)=O)CCCN4C3=O)cc2)CCC1.
What is the InChIKey of (7aR)-2-[4-[1-(2-amino-2-oxoethyl)cyclobutyl]phenyl]-3-oxo-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide?
The InChIKey is UPTDLVOBEMLINZ-LJQANCHMSA-N. The full InChI is InChI=1S/C19H24N4O3/c20-15(24)11-18(7-1-8-18)13-3-5-14(6-4-13)22-12-19(16(21)25)9-2-10-23(19)17(22)26/h3-6H,1-2,7-12H2,(H2,20,24)(H2,21,25)/t19-/m1/s1.
What are the key properties of (7aR)-2-[4-[1-(2-amino-2-oxoethyl)cyclobutyl]phenyl]-3-oxo-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide?
(7aR)-2-[4-[1-(2-amino-2-oxoethyl)cyclobutyl]phenyl]-3-oxo-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7aR)-2-[4-[1-(2-amino-2-oxoethyl)cyclobutyl]phenyl]-3-oxo-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide is sourced from PubChem (CID 18447818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).