(4-amino-1-cyclopropylpyrrol-2-yl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone

C14H21N3O2 — CID 64568402

IUPAC(4-amino-1-cyclopropylpyrrol-2-yl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
SMILESCOCC1CCN(C(=O)c2cc(N)cn2C2CC2)C1
InChIInChI=1S/C14H21N3O2/c1-19-9-10-4-5-16(7-10)14(18)13-6-11(15)8-17(13)12-2-3-12/h6,8,10,12H,2-5,7,9,15H2,1H3
InChIKeyOXWDTLUBSKLWNT-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.51
Rot. Bonds4

About (4-amino-1-cyclopropylpyrrol-2-yl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone

(4-amino-1-cyclopropylpyrrol-2-yl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone (PubChem CID 64568402) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is (4-amino-1-cyclopropylpyrrol-2-yl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(4-amino-1-cyclopropylpyrrol-2-yl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
PubChem CID64568402
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name(4-amino-1-cyclopropylpyrrol-2-yl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
SMILESCOCC1CCN(C(=O)c2cc(N)cn2C2CC2)C1
InChIInChI=1S/C14H21N3O2/c1-19-9-10-4-5-16(7-10)14(18)13-6-11(15)8-17(13)12-2-3-12/h6,8,10,12H,2-5,7,9,15H2,1H3
InChIKeyOXWDTLUBSKLWNT-UHFFFAOYSA-N
XLogP1.51
TPSA60.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-amino-1-cyclopropylpyrrol-2-yl)-(3-ethylpyrrolidin-1-yl)methanone
CID 113416742
(4-amino-1-cyclopropylpyrrol-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 43644082
1-[4-(4-amino-1-cyclopropylpyrrole-2-carbonyl)piperazin-1-yl]ethanone
CID 43642310
(4-amino-1-cyclopropylpyrrol-2-yl)-(4-tert-butylpiperidin-1-yl)methanone
CID 62090534
3-methoxypropyl 4-amino-1-cyclopropylpyrrole-2-carboxylate
CID 61309416
7-(4-amino-1-cyclopropylpyrrole-2-carbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79095542
(5-amino-2,4-difluorophenyl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 64568795
(2-amino-4-methoxyphenyl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 115413350
(4-amino-3-iodophenyl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 112750869
(3-amino-2,6-difluorophenyl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 79772761
(5-amino-1-benzothiophen-2-yl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 64571213
2-hydroxyethyl 4-amino-1-cyclopropylpyrrole-2-carboxylate
CID 61314738

Frequently Asked Questions

What is the IUPAC name of (4-amino-1-cyclopropylpyrrol-2-yl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (4-amino-1-cyclopropylpyrrol-2-yl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone (CID 64568402) is (4-amino-1-cyclopropylpyrrol-2-yl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (4-amino-1-cyclopropylpyrrol-2-yl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (4-amino-1-cyclopropylpyrrol-2-yl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone is COCC1CCN(C(=O)c2cc(N)cn2C2CC2)C1.
What is the InChIKey of (4-amino-1-cyclopropylpyrrol-2-yl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone?
The InChIKey is OXWDTLUBSKLWNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-19-9-10-4-5-16(7-10)14(18)13-6-11(15)8-17(13)12-2-3-12/h6,8,10,12H,2-5,7,9,15H2,1H3.
What are the key properties of (4-amino-1-cyclopropylpyrrol-2-yl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone?
(4-amino-1-cyclopropylpyrrol-2-yl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone has a molecular weight of 263.34 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1-cyclopropylpyrrol-2-yl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 64568402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).