(5-methyloxolan-2-yl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate

C14H20N2O3 — CID 103137013

IUPAC(5-methyloxolan-2-yl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate
SMILESCC1CCC(COC(=O)c2cc(N)cn2C2CC2)O1
InChIInChI=1S/C14H20N2O3/c1-9-2-5-12(19-9)8-18-14(17)13-6-10(15)7-16(13)11-3-4-11/h6-7,9,11-12H,2-5,8,15H2,1H3
InChIKeyZVEBDCNJSXWLMG-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.13
Rot. Bonds4

About (5-methyloxolan-2-yl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate

(5-methyloxolan-2-yl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate (PubChem CID 103137013) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is (5-methyloxolan-2-yl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate.

Molecular Properties

Compound Name(5-methyloxolan-2-yl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate
PubChem CID103137013
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name(5-methyloxolan-2-yl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate
SMILESCC1CCC(COC(=O)c2cc(N)cn2C2CC2)O1
InChIInChI=1S/C14H20N2O3/c1-9-2-5-12(19-9)8-18-14(17)13-6-10(15)7-16(13)11-3-4-11/h6-7,9,11-12H,2-5,8,15H2,1H3
InChIKeyZVEBDCNJSXWLMG-UHFFFAOYSA-N
XLogP2.13
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-hydroxyethyl 4-amino-1-cyclopropylpyrrole-2-carboxylate
CID 61314738
3-methoxypropyl 4-amino-1-cyclopropylpyrrole-2-carboxylate
CID 61309416
2-methylbutyl 4-amino-1-cyclopropylpyrrole-2-carboxylate
CID 62104592
3-ethoxypropyl 4-amino-1-cyclopropylpyrrole-2-carboxylate
CID 65180401
ethoxymethyl 4-amino-1-cyclopropylpyrrole-2-carboxylate
CID 65366812
(5-methyloxolan-2-yl)methyl 5-amino-2-bromobenzoate
CID 103137017
3-(dimethylamino)propyl 4-amino-1-cyclopropylpyrrole-2-carboxylate
CID 114526441
benzyl 4-amino-1-cyclopropylpyrrole-2-carboxylate
CID 61308860
(5-methyloxolan-2-yl)methyl 2-amino-6-methylbenzoate
CID 103136986
(5-cyano-5-methylhexyl) 4-amino-1-cyclopropylpyrrole-2-carboxylate
CID 106713730
(5-chlorothiophen-2-yl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate
CID 61314370
(5-bromothiophen-2-yl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate
CID 61314371

Frequently Asked Questions

What is the IUPAC name of (5-methyloxolan-2-yl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate?
The IUPAC name of (5-methyloxolan-2-yl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate (CID 103137013) is (5-methyloxolan-2-yl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate.
What is the SMILES notation for (5-methyloxolan-2-yl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate?
The canonical SMILES for (5-methyloxolan-2-yl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate is CC1CCC(COC(=O)c2cc(N)cn2C2CC2)O1.
What is the InChIKey of (5-methyloxolan-2-yl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate?
The InChIKey is ZVEBDCNJSXWLMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-9-2-5-12(19-9)8-18-14(17)13-6-10(15)7-16(13)11-3-4-11/h6-7,9,11-12H,2-5,8,15H2,1H3.
What are the key properties of (5-methyloxolan-2-yl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate?
(5-methyloxolan-2-yl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate has a molecular weight of 264.32 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyloxolan-2-yl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate is sourced from PubChem (CID 103137013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).