1-ethoxypropan-2-yl 4-amino-1-propylpyrrole-2-carboxylate

C13H22N2O3 — CID 103489505

IUPAC1-ethoxypropan-2-yl 4-amino-1-propylpyrrole-2-carboxylate
SMILESCCCn1cc(N)cc1C(=O)OC(C)COCC
InChIInChI=1S/C13H22N2O3/c1-4-6-15-8-11(14)7-12(15)13(16)18-10(3)9-17-5-2/h7-8,10H,4-6,9,14H2,1-3H3
InChIKeyFEZWJPQHOBXIPS-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.06
Rot. Bonds7

About 1-ethoxypropan-2-yl 4-amino-1-propylpyrrole-2-carboxylate

1-ethoxypropan-2-yl 4-amino-1-propylpyrrole-2-carboxylate (PubChem CID 103489505) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-ethoxypropan-2-yl 4-amino-1-propylpyrrole-2-carboxylate.

Molecular Properties

Compound Name1-ethoxypropan-2-yl 4-amino-1-propylpyrrole-2-carboxylate
PubChem CID103489505
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name1-ethoxypropan-2-yl 4-amino-1-propylpyrrole-2-carboxylate
SMILESCCCn1cc(N)cc1C(=O)OC(C)COCC
InChIInChI=1S/C13H22N2O3/c1-4-6-15-8-11(14)7-12(15)13(16)18-10(3)9-17-5-2/h7-8,10H,4-6,9,14H2,1-3H3
InChIKeyFEZWJPQHOBXIPS-UHFFFAOYSA-N
XLogP2.06
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-amino-2-methyl-3-oxopropyl) 4-amino-1-propylpyrrole-2-carboxylate
CID 61315296
[1-(butan-2-ylamino)-1-oxopropan-2-yl] 4-amino-1-propylpyrrole-2-carboxylate
CID 61314727
butyl 4-amino-1-propylpyrrole-2-carboxylate
CID 61310196
2-(4-amino-1-propylpyrrole-2-carbonyl)oxyacetic acid
CID 61316436
[1-(2-methoxyethylamino)-1-oxopropan-2-yl] 4-amino-1-propylpyrrole-2-carboxylate
CID 61314358
pentan-2-yl 4-amino-1-methylpyrrole-2-carboxylate
CID 102983089
[2-(1-methoxypropan-2-ylamino)-2-oxoethyl] 4-amino-1-propylpyrrole-2-carboxylate
CID 61488139
butan-2-yl 1-propyl-4-sulfamoylpyrrole-2-carboxylate
CID 114612651
1-ethoxypropan-2-yl 2,4-diaminobenzoate
CID 103489471
2-methylpropyl 4-amino-1-ethylpyrrole-2-carboxylate
CID 61309440
4-amino-N-(1-methoxy-3-methylbutan-2-yl)-1-propylpyrrole-2-carboxamide
CID 65049794
(4-bromophenyl)methyl 4-amino-1-propylpyrrole-2-carboxylate
CID 61315860

Frequently Asked Questions

What is the IUPAC name of 1-ethoxypropan-2-yl 4-amino-1-propylpyrrole-2-carboxylate?
The IUPAC name of 1-ethoxypropan-2-yl 4-amino-1-propylpyrrole-2-carboxylate (CID 103489505) is 1-ethoxypropan-2-yl 4-amino-1-propylpyrrole-2-carboxylate.
What is the SMILES notation for 1-ethoxypropan-2-yl 4-amino-1-propylpyrrole-2-carboxylate?
The canonical SMILES for 1-ethoxypropan-2-yl 4-amino-1-propylpyrrole-2-carboxylate is CCCn1cc(N)cc1C(=O)OC(C)COCC.
What is the InChIKey of 1-ethoxypropan-2-yl 4-amino-1-propylpyrrole-2-carboxylate?
The InChIKey is FEZWJPQHOBXIPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-4-6-15-8-11(14)7-12(15)13(16)18-10(3)9-17-5-2/h7-8,10H,4-6,9,14H2,1-3H3.
What are the key properties of 1-ethoxypropan-2-yl 4-amino-1-propylpyrrole-2-carboxylate?
1-ethoxypropan-2-yl 4-amino-1-propylpyrrole-2-carboxylate has a molecular weight of 254.33 g/mol, XLogP of 2.06, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxypropan-2-yl 4-amino-1-propylpyrrole-2-carboxylate is sourced from PubChem (CID 103489505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).