oxan-4-ylmethyl 4-amino-1-propylpyrrole-2-carboxylate

C14H22N2O3 — CID 62383490

IUPACoxan-4-ylmethyl 4-amino-1-propylpyrrole-2-carboxylate
SMILESCCCn1cc(N)cc1C(=O)OCC1CCOCC1
InChIInChI=1S/C14H22N2O3/c1-2-5-16-9-12(15)8-13(16)14(17)19-10-11-3-6-18-7-4-11/h8-9,11H,2-7,10,15H2,1H3
InChIKeyUTVQINMYKSKHLL-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.06
Rot. Bonds5

About oxan-4-ylmethyl 4-amino-1-propylpyrrole-2-carboxylate

oxan-4-ylmethyl 4-amino-1-propylpyrrole-2-carboxylate (PubChem CID 62383490) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is oxan-4-ylmethyl 4-amino-1-propylpyrrole-2-carboxylate.

Molecular Properties

Compound Nameoxan-4-ylmethyl 4-amino-1-propylpyrrole-2-carboxylate
PubChem CID62383490
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Nameoxan-4-ylmethyl 4-amino-1-propylpyrrole-2-carboxylate
SMILESCCCn1cc(N)cc1C(=O)OCC1CCOCC1
InChIInChI=1S/C14H22N2O3/c1-2-5-16-9-12(15)8-13(16)14(17)19-10-11-3-6-18-7-4-11/h8-9,11H,2-7,10,15H2,1H3
InChIKeyUTVQINMYKSKHLL-UHFFFAOYSA-N
XLogP2.06
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

oxan-2-ylmethyl 4-amino-1-propylpyrrole-2-carboxylate
CID 61309823
cyclopropylmethyl 1-propyl-4-sulfamoylpyrrole-2-carboxylate
CID 114612665
2-(4-amino-1-propylpyrrole-2-carbonyl)oxyacetic acid
CID 61316436
cyclopentylmethyl 4-chlorosulfonyl-1-propylpyrrole-2-carboxylate
CID 114611828
(3-amino-2-methyl-3-oxopropyl) 4-amino-1-propylpyrrole-2-carboxylate
CID 61315296
4-amino-N-[(4-ethylcyclohexyl)methyl]-1-propylpyrrole-2-carboxamide
CID 61117906
4-amino-N-[(4-methylcyclohexyl)methyl]-1-propylpyrrole-2-carboxamide
CID 63243289
4-amino-N-[(3-methylcyclopentyl)methyl]-1-propylpyrrole-2-carboxamide
CID 107411013
4-amino-N-cyclopropyl-N,1-dipropylpyrrole-2-carboxamide
CID 43643445
(4-fluorophenyl)methyl 4-amino-1-propylpyrrole-2-carboxylate
CID 61315483
(4-bromophenyl)methyl 4-amino-1-propylpyrrole-2-carboxylate
CID 61315860
4-bromo-N-(oxan-4-ylmethyl)-1-propylpyrrole-2-carboxamide
CID 55226070

Frequently Asked Questions

What is the IUPAC name of oxan-4-ylmethyl 4-amino-1-propylpyrrole-2-carboxylate?
The IUPAC name of oxan-4-ylmethyl 4-amino-1-propylpyrrole-2-carboxylate (CID 62383490) is oxan-4-ylmethyl 4-amino-1-propylpyrrole-2-carboxylate.
What is the SMILES notation for oxan-4-ylmethyl 4-amino-1-propylpyrrole-2-carboxylate?
The canonical SMILES for oxan-4-ylmethyl 4-amino-1-propylpyrrole-2-carboxylate is CCCn1cc(N)cc1C(=O)OCC1CCOCC1.
What is the InChIKey of oxan-4-ylmethyl 4-amino-1-propylpyrrole-2-carboxylate?
The InChIKey is UTVQINMYKSKHLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-2-5-16-9-12(15)8-13(16)14(17)19-10-11-3-6-18-7-4-11/h8-9,11H,2-7,10,15H2,1H3.
What are the key properties of oxan-4-ylmethyl 4-amino-1-propylpyrrole-2-carboxylate?
oxan-4-ylmethyl 4-amino-1-propylpyrrole-2-carboxylate has a molecular weight of 266.34 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-4-ylmethyl 4-amino-1-propylpyrrole-2-carboxylate is sourced from PubChem (CID 62383490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).