benzyl 4-amino-1-cyclopropylpyrrole-2-carboxylate

C15H16N2O2 — CID 61308860

IUPACbenzyl 4-amino-1-cyclopropylpyrrole-2-carboxylate
SMILESNc1cc(C(=O)OCc2ccccc2)n(C2CC2)c1
InChIInChI=1S/C15H16N2O2/c16-12-8-14(17(9-12)13-6-7-13)15(18)19-10-11-4-2-1-3-5-11/h1-5,8-9,13H,6-7,10,16H2
InChIKeyNFCYRACGIFSUOS-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.76
Rot. Bonds4

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

benzyl 4-amino-1-cyclopropylpyrrole-2-carboxylate (PubChem CID 61308860) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is benzyl 4-amino-1-cyclopropylpyrrole-2-carboxylate.

Molecular Properties

Compound Namebenzyl 4-amino-1-cyclopropylpyrrole-2-carboxylate
PubChem CID61308860
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Namebenzyl 4-amino-1-cyclopropylpyrrole-2-carboxylate
SMILESNc1cc(C(=O)OCc2ccccc2)n(C2CC2)c1
InChIInChI=1S/C15H16N2O2/c16-12-8-14(17(9-12)13-6-7-13)15(18)19-10-11-4-2-1-3-5-11/h1-5,8-9,13H,6-7,10,16H2
InChIKeyNFCYRACGIFSUOS-UHFFFAOYSA-N
XLogP2.76
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-cyanophenyl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate
CID 61314737
(2-chlorophenyl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate
CID 61308313
(2,6-difluorophenyl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate
CID 114933000
2-hydroxyethyl 4-amino-1-cyclopropylpyrrole-2-carboxylate
CID 61314738
(3-bromo-5-fluorophenyl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate
CID 79700754
4-amino-1-cyclopropyl-N-(2-phenylethyl)pyrrole-2-carboxamide
CID 43642172
(5-bromothiophen-2-yl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate
CID 61314371
(1-methylpyrazol-3-yl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate
CID 82876097
(2-cyano-3-pyridinyl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate
CID 62895487
3-methoxypropyl 4-amino-1-cyclopropylpyrrole-2-carboxylate
CID 61309416
2-methylbutyl 4-amino-1-cyclopropylpyrrole-2-carboxylate
CID 62104592
3-(dimethylamino)propyl 4-amino-1-cyclopropylpyrrole-2-carboxylate
CID 114526441

Frequently Asked Questions

What is the IUPAC name of benzyl 4-amino-1-cyclopropylpyrrole-2-carboxylate?
The IUPAC name of benzyl 4-amino-1-cyclopropylpyrrole-2-carboxylate (CID 61308860) is benzyl 4-amino-1-cyclopropylpyrrole-2-carboxylate.
What is the SMILES notation for benzyl 4-amino-1-cyclopropylpyrrole-2-carboxylate?
The canonical SMILES for benzyl 4-amino-1-cyclopropylpyrrole-2-carboxylate is Nc1cc(C(=O)OCc2ccccc2)n(C2CC2)c1.
What is the InChIKey of benzyl 4-amino-1-cyclopropylpyrrole-2-carboxylate?
The InChIKey is NFCYRACGIFSUOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c16-12-8-14(17(9-12)13-6-7-13)15(18)19-10-11-4-2-1-3-5-11/h1-5,8-9,13H,6-7,10,16H2.
What are the key properties of benzyl 4-amino-1-cyclopropylpyrrole-2-carboxylate?
benzyl 4-amino-1-cyclopropylpyrrole-2-carboxylate has a molecular weight of 256.31 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-amino-1-cyclopropylpyrrole-2-carboxylate is sourced from PubChem (CID 61308860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).