(2-carbamoylphenyl)methyl 4-amino-1-ethylpyrrole-2-carboxylate

C15H17N3O3 — CID 61315853

IUPAC(2-carbamoylphenyl)methyl 4-amino-1-ethylpyrrole-2-carboxylate
SMILESCCn1cc(N)cc1C(=O)OCc1ccccc1C(N)=O
InChIInChI=1S/C15H17N3O3/c1-2-18-8-11(16)7-13(18)15(20)21-9-10-5-3-4-6-12(10)14(17)19/h3-8H,2,9,16H2,1H3,(H2,17,19)
InChIKeyJINJLKANAXDXMI-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.55
Rot. Bonds5

About (2-carbamoylphenyl)methyl 4-amino-1-ethylpyrrole-2-carboxylate

(2-carbamoylphenyl)methyl 4-amino-1-ethylpyrrole-2-carboxylate (PubChem CID 61315853) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is (2-carbamoylphenyl)methyl 4-amino-1-ethylpyrrole-2-carboxylate.

Molecular Properties

Compound Name(2-carbamoylphenyl)methyl 4-amino-1-ethylpyrrole-2-carboxylate
PubChem CID61315853
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name(2-carbamoylphenyl)methyl 4-amino-1-ethylpyrrole-2-carboxylate
SMILESCCn1cc(N)cc1C(=O)OCc1ccccc1C(N)=O
InChIInChI=1S/C15H17N3O3/c1-2-18-8-11(16)7-13(18)15(20)21-9-10-5-3-4-6-12(10)14(17)19/h3-8H,2,9,16H2,1H3,(H2,17,19)
InChIKeyJINJLKANAXDXMI-UHFFFAOYSA-N
XLogP1.55
TPSA100.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2-chloro-3-fluorophenyl)methyl 4-amino-1-ethylpyrrole-2-carboxylate
CID 115984103
(4-bromophenyl)methyl 4-amino-1-ethylpyrrole-2-carboxylate
CID 61314717
(3-chlorophenyl)methyl 4-amino-1-ethylpyrrole-2-carboxylate
CID 61315287
(1-methyltriazol-4-yl)methyl 4-amino-1-ethylpyrrole-2-carboxylate
CID 107052153
(2-carbamoylphenyl)methyl 5-amino-2-methylbenzoate
CID 61322116
(2,2-difluoro-2-phenylethyl) 4-amino-1-ethylpyrrole-2-carboxylate
CID 116790275
2-methylpropyl 4-amino-1-ethylpyrrole-2-carboxylate
CID 61309440
nonyl 4-amino-1-ethylpyrrole-2-carboxylate
CID 63450638
6-hydroxyhexyl 4-amino-1-ethylpyrrole-2-carboxylate
CID 107706189
[3-(methylamino)-3-oxopropyl] 4-amino-1-ethylpyrrole-2-carboxylate
CID 62326291
4-methylpentyl 4-amino-1-ethylpyrrole-2-carboxylate
CID 61310258
(2-carbamoylphenyl)methyl 2-amino-4-chlorobenzoate
CID 61322453

Frequently Asked Questions

What is the IUPAC name of (2-carbamoylphenyl)methyl 4-amino-1-ethylpyrrole-2-carboxylate?
The IUPAC name of (2-carbamoylphenyl)methyl 4-amino-1-ethylpyrrole-2-carboxylate (CID 61315853) is (2-carbamoylphenyl)methyl 4-amino-1-ethylpyrrole-2-carboxylate.
What is the SMILES notation for (2-carbamoylphenyl)methyl 4-amino-1-ethylpyrrole-2-carboxylate?
The canonical SMILES for (2-carbamoylphenyl)methyl 4-amino-1-ethylpyrrole-2-carboxylate is CCn1cc(N)cc1C(=O)OCc1ccccc1C(N)=O.
What is the InChIKey of (2-carbamoylphenyl)methyl 4-amino-1-ethylpyrrole-2-carboxylate?
The InChIKey is JINJLKANAXDXMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-2-18-8-11(16)7-13(18)15(20)21-9-10-5-3-4-6-12(10)14(17)19/h3-8H,2,9,16H2,1H3,(H2,17,19).
What are the key properties of (2-carbamoylphenyl)methyl 4-amino-1-ethylpyrrole-2-carboxylate?
(2-carbamoylphenyl)methyl 4-amino-1-ethylpyrrole-2-carboxylate has a molecular weight of 287.32 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-carbamoylphenyl)methyl 4-amino-1-ethylpyrrole-2-carboxylate is sourced from PubChem (CID 61315853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).