2-hydroxyethyl 4-amino-1-cyclopropylpyrrole-2-carboxylate

C10H14N2O3 — CID 61314738

IUPAC2-hydroxyethyl 4-amino-1-cyclopropylpyrrole-2-carboxylate
SMILESNc1cc(C(=O)OCCO)n(C2CC2)c1
InChIInChI=1S/C10H14N2O3/c11-7-5-9(10(14)15-4-3-13)12(6-7)8-1-2-8/h5-6,8,13H,1-4,11H2
InChIKeyXLPWVHYUMPOYMG-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.55
Rot. Bonds4

About 2-hydroxyethyl 4-amino-1-cyclopropylpyrrole-2-carboxylate

2-hydroxyethyl 4-amino-1-cyclopropylpyrrole-2-carboxylate (PubChem CID 61314738) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 2-hydroxyethyl 4-amino-1-cyclopropylpyrrole-2-carboxylate.

Molecular Properties

Compound Name2-hydroxyethyl 4-amino-1-cyclopropylpyrrole-2-carboxylate
PubChem CID61314738
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name2-hydroxyethyl 4-amino-1-cyclopropylpyrrole-2-carboxylate
SMILESNc1cc(C(=O)OCCO)n(C2CC2)c1
InChIInChI=1S/C10H14N2O3/c11-7-5-9(10(14)15-4-3-13)12(6-7)8-1-2-8/h5-6,8,13H,1-4,11H2
InChIKeyXLPWVHYUMPOYMG-UHFFFAOYSA-N
XLogP0.55
TPSA77.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxypropyl 4-amino-1-cyclopropylpyrrole-2-carboxylate
CID 61309416
3-ethoxypropyl 4-amino-1-cyclopropylpyrrole-2-carboxylate
CID 65180401
3-(dimethylamino)propyl 4-amino-1-cyclopropylpyrrole-2-carboxylate
CID 114526441
2-phenylsulfanylethyl 4-amino-1-cyclopropylpyrrole-2-carboxylate
CID 79228438
ethoxymethyl 4-amino-1-cyclopropylpyrrole-2-carboxylate
CID 65366812
benzyl 4-amino-1-cyclopropylpyrrole-2-carboxylate
CID 61308860
2-methylbutyl 4-amino-1-cyclopropylpyrrole-2-carboxylate
CID 62104592
(5-cyano-5-methylhexyl) 4-amino-1-cyclopropylpyrrole-2-carboxylate
CID 106713730
(2,6-difluorophenyl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate
CID 114933000
(2-chlorophenyl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate
CID 61308313
(5-methyloxolan-2-yl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate
CID 103137013
(1-methyltriazol-4-yl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate
CID 107052158

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl 4-amino-1-cyclopropylpyrrole-2-carboxylate?
The IUPAC name of 2-hydroxyethyl 4-amino-1-cyclopropylpyrrole-2-carboxylate (CID 61314738) is 2-hydroxyethyl 4-amino-1-cyclopropylpyrrole-2-carboxylate.
What is the SMILES notation for 2-hydroxyethyl 4-amino-1-cyclopropylpyrrole-2-carboxylate?
The canonical SMILES for 2-hydroxyethyl 4-amino-1-cyclopropylpyrrole-2-carboxylate is Nc1cc(C(=O)OCCO)n(C2CC2)c1.
What is the InChIKey of 2-hydroxyethyl 4-amino-1-cyclopropylpyrrole-2-carboxylate?
The InChIKey is XLPWVHYUMPOYMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c11-7-5-9(10(14)15-4-3-13)12(6-7)8-1-2-8/h5-6,8,13H,1-4,11H2.
What are the key properties of 2-hydroxyethyl 4-amino-1-cyclopropylpyrrole-2-carboxylate?
2-hydroxyethyl 4-amino-1-cyclopropylpyrrole-2-carboxylate has a molecular weight of 210.23 g/mol, XLogP of 0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl 4-amino-1-cyclopropylpyrrole-2-carboxylate is sourced from PubChem (CID 61314738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).