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

C18H22N4O3 — CID 18447820

IUPAC(7aR)-2-[4-[1-(2-amino-2-oxoethyl)cyclopropyl]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)CC1
InChIInChI=1S/C18H22N4O3/c19-14(23)10-17(7-8-17)12-2-4-13(5-3-12)21-11-18(15(20)24)6-1-9-22(18)16(21)25/h2-5H,1,6-11H2,(H2,19,23)(H2,20,24)/t18-/m1/s1
InChIKeyQRCYKLSVQZPGSX-GOSISDBHSA-N
MW342.40 g/mol
LogP0.85
Rot. Bonds5

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

(7aR)-2-[4-[1-(2-amino-2-oxoethyl)cyclopropyl]phenyl]-3-oxo-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide (PubChem CID 18447820) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is (7aR)-2-[4-[1-(2-amino-2-oxoethyl)cyclopropyl]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)cyclopropyl]phenyl]-3-oxo-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide
PubChem CID18447820
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name(7aR)-2-[4-[1-(2-amino-2-oxoethyl)cyclopropyl]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)CC1
InChIInChI=1S/C18H22N4O3/c19-14(23)10-17(7-8-17)12-2-4-13(5-3-12)21-11-18(15(20)24)6-1-9-22(18)16(21)25/h2-5H,1,6-11H2,(H2,19,23)(H2,20,24)/t18-/m1/s1
InChIKeyQRCYKLSVQZPGSX-GOSISDBHSA-N
XLogP0.85
TPSA109.73 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 50.85
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)cyclopropyl]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)cyclopropyl]phenyl]-3-oxo-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide (CID 18447820) is (7aR)-2-[4-[1-(2-amino-2-oxoethyl)cyclopropyl]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)cyclopropyl]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)cyclopropyl]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)CC1.
What is the InChIKey of (7aR)-2-[4-[1-(2-amino-2-oxoethyl)cyclopropyl]phenyl]-3-oxo-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide?
The InChIKey is QRCYKLSVQZPGSX-GOSISDBHSA-N. The full InChI is InChI=1S/C18H22N4O3/c19-14(23)10-17(7-8-17)12-2-4-13(5-3-12)21-11-18(15(20)24)6-1-9-22(18)16(21)25/h2-5H,1,6-11H2,(H2,19,23)(H2,20,24)/t18-/m1/s1.
What are the key properties of (7aR)-2-[4-[1-(2-amino-2-oxoethyl)cyclopropyl]phenyl]-3-oxo-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide?
(7aR)-2-[4-[1-(2-amino-2-oxoethyl)cyclopropyl]phenyl]-3-oxo-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 0.85, 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)cyclopropyl]phenyl]-3-oxo-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide is sourced from PubChem (CID 18447820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).