4-amino-N-(2-amino-2-oxoethyl)-1-cyclopropyl-N-ethylpyrrole-2-carboxamide

C12H18N4O2 — CID 103100900

IUPAC4-amino-N-(2-amino-2-oxoethyl)-1-cyclopropyl-N-ethylpyrrole-2-carboxamide
SMILESCCN(CC(N)=O)C(=O)c1cc(N)cn1C1CC1
InChIInChI=1S/C12H18N4O2/c1-2-15(7-11(14)17)12(18)10-5-8(13)6-16(10)9-3-4-9/h5-6,9H,2-4,7,13H2,1H3,(H2,14,17)
InChIKeyWSBPJBHSLWGNHI-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.35
Rot. Bonds5

About 4-amino-N-(2-amino-2-oxoethyl)-1-cyclopropyl-N-ethylpyrrole-2-carboxamide

4-amino-N-(2-amino-2-oxoethyl)-1-cyclopropyl-N-ethylpyrrole-2-carboxamide (PubChem CID 103100900) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 4-amino-N-(2-amino-2-oxoethyl)-1-cyclopropyl-N-ethylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-amino-2-oxoethyl)-1-cyclopropyl-N-ethylpyrrole-2-carboxamide
PubChem CID103100900
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name4-amino-N-(2-amino-2-oxoethyl)-1-cyclopropyl-N-ethylpyrrole-2-carboxamide
SMILESCCN(CC(N)=O)C(=O)c1cc(N)cn1C1CC1
InChIInChI=1S/C12H18N4O2/c1-2-15(7-11(14)17)12(18)10-5-8(13)6-16(10)9-3-4-9/h5-6,9H,2-4,7,13H2,1H3,(H2,14,17)
InChIKeyWSBPJBHSLWGNHI-UHFFFAOYSA-N
XLogP0.35
TPSA94.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-amino-2-oxoethyl)-1-cyclopropyl-N-ethylpyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-(2-amino-2-oxoethyl)-1-cyclopropyl-N-ethylpyrrole-2-carboxamide (CID 103100900) is 4-amino-N-(2-amino-2-oxoethyl)-1-cyclopropyl-N-ethylpyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-(2-amino-2-oxoethyl)-1-cyclopropyl-N-ethylpyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-(2-amino-2-oxoethyl)-1-cyclopropyl-N-ethylpyrrole-2-carboxamide is CCN(CC(N)=O)C(=O)c1cc(N)cn1C1CC1.
What is the InChIKey of 4-amino-N-(2-amino-2-oxoethyl)-1-cyclopropyl-N-ethylpyrrole-2-carboxamide?
The InChIKey is WSBPJBHSLWGNHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-2-15(7-11(14)17)12(18)10-5-8(13)6-16(10)9-3-4-9/h5-6,9H,2-4,7,13H2,1H3,(H2,14,17).
What are the key properties of 4-amino-N-(2-amino-2-oxoethyl)-1-cyclopropyl-N-ethylpyrrole-2-carboxamide?
4-amino-N-(2-amino-2-oxoethyl)-1-cyclopropyl-N-ethylpyrrole-2-carboxamide has a molecular weight of 250.30 g/mol, XLogP of 0.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-amino-2-oxoethyl)-1-cyclopropyl-N-ethylpyrrole-2-carboxamide is sourced from PubChem (CID 103100900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).