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

C20H26N4O3 — CID 18447819

IUPAC(7aR)-2-[4-[1-(2-amino-2-oxoethyl)cyclopentyl]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)CCCC1
InChIInChI=1S/C20H26N4O3/c21-16(25)12-19(8-1-2-9-19)14-4-6-15(7-5-14)23-13-20(17(22)26)10-3-11-24(20)18(23)27/h4-7H,1-3,8-13H2,(H2,21,25)(H2,22,26)/t20-/m1/s1
InChIKeyJJWUIIDWBPIQKP-HXUWFJFHSA-N
MW370.45 g/mol
LogP1.63
Rot. Bonds5

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

(7aR)-2-[4-[1-(2-amino-2-oxoethyl)cyclopentyl]phenyl]-3-oxo-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide (PubChem CID 18447819) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is (7aR)-2-[4-[1-(2-amino-2-oxoethyl)cyclopentyl]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)cyclopentyl]phenyl]-3-oxo-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide
PubChem CID18447819
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name(7aR)-2-[4-[1-(2-amino-2-oxoethyl)cyclopentyl]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)CCCC1
InChIInChI=1S/C20H26N4O3/c21-16(25)12-19(8-1-2-9-19)14-4-6-15(7-5-14)23-13-20(17(22)26)10-3-11-24(20)18(23)27/h4-7H,1-3,8-13H2,(H2,21,25)(H2,22,26)/t20-/m1/s1
InChIKeyJJWUIIDWBPIQKP-HXUWFJFHSA-N
XLogP1.63
TPSA109.73 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 51.63
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)cyclopentyl]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)cyclopentyl]phenyl]-3-oxo-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide (CID 18447819) is (7aR)-2-[4-[1-(2-amino-2-oxoethyl)cyclopentyl]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)cyclopentyl]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)cyclopentyl]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)CCCC1.
What is the InChIKey of (7aR)-2-[4-[1-(2-amino-2-oxoethyl)cyclopentyl]phenyl]-3-oxo-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide?
The InChIKey is JJWUIIDWBPIQKP-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H26N4O3/c21-16(25)12-19(8-1-2-9-19)14-4-6-15(7-5-14)23-13-20(17(22)26)10-3-11-24(20)18(23)27/h4-7H,1-3,8-13H2,(H2,21,25)(H2,22,26)/t20-/m1/s1.
What are the key properties of (7aR)-2-[4-[1-(2-amino-2-oxoethyl)cyclopentyl]phenyl]-3-oxo-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide?
(7aR)-2-[4-[1-(2-amino-2-oxoethyl)cyclopentyl]phenyl]-3-oxo-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide has a molecular weight of 370.45 g/mol, XLogP of 1.63, 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)cyclopentyl]phenyl]-3-oxo-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide is sourced from PubChem (CID 18447819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).