3-(aminomethyl)-N-[2-(1H-pyrrol-3-yl)ethyl]oxetane-3-carboxamide

C11H17N3O2 — CID 115185742

IUPAC3-(aminomethyl)-N-[2-(1H-pyrrol-3-yl)ethyl]oxetane-3-carboxamide
SMILESNCC1(C(=O)NCCc2cc[nH]c2)COC1
InChIInChI=1S/C11H17N3O2/c12-6-11(7-16-8-11)10(15)14-4-2-9-1-3-13-5-9/h1,3,5,13H,2,4,6-8,12H2,(H,14,15)
InChIKeyWNXGYHYQMDXJPB-UHFFFAOYSA-N
MW223.28 g/mol
LogP-0.35
Rot. Bonds5

About 3-(aminomethyl)-N-[2-(1H-pyrrol-3-yl)ethyl]oxetane-3-carboxamide

3-(aminomethyl)-N-[2-(1H-pyrrol-3-yl)ethyl]oxetane-3-carboxamide (PubChem CID 115185742) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 3-(aminomethyl)-N-[2-(1H-pyrrol-3-yl)ethyl]oxetane-3-carboxamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-[2-(1H-pyrrol-3-yl)ethyl]oxetane-3-carboxamide
PubChem CID115185742
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name3-(aminomethyl)-N-[2-(1H-pyrrol-3-yl)ethyl]oxetane-3-carboxamide
SMILESNCC1(C(=O)NCCc2cc[nH]c2)COC1
InChIInChI=1S/C11H17N3O2/c12-6-11(7-16-8-11)10(15)14-4-2-9-1-3-13-5-9/h1,3,5,13H,2,4,6-8,12H2,(H,14,15)
InChIKeyWNXGYHYQMDXJPB-UHFFFAOYSA-N
XLogP-0.35
TPSA80.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 5-0.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-N-(2-pyridin-4-ylethyl)oxetane-3-carboxamide
CID 115185753
1-[2-(1H-pyrrol-3-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 115181937
2-(1H-pyrrol-3-yl)ethylurea
CID 115168515
N-[2-(1H-pyrrol-3-yl)ethyl]carbamoyl chloride
CID 115194921
3-(1H-pyrrol-3-ylmethyl)oxetane-3-carboxylic acid
CID 116930117
N-[2-(1H-pyrrol-3-yl)ethyl]azetidine-3-carboxamide
CID 115159020
2-(aminomethyl)-3-methyl-N-[2-(1H-pyrrol-3-yl)ethyl]butanamide
CID 115187573
5-bromo-N-[2-(1H-pyrrol-3-yl)ethyl]furan-2-carboxamide
CID 110795686
4-(aminomethyl)-N-[2-(4-bromophenyl)ethyl]oxane-4-carboxamide;hydrochloride
CID 120922301
3-oxo-N-[2-(1H-pyrrol-3-yl)ethyl]butanamide
CID 115176543
3-chloro-N-[2-(1H-pyrrol-3-yl)ethyl]propanamide
CID 115162634
3-(aminomethyl)-N-[2-(1H-pyrrol-3-yl)ethyl]benzamide
CID 115161194

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-[2-(1H-pyrrol-3-yl)ethyl]oxetane-3-carboxamide?
The IUPAC name of 3-(aminomethyl)-N-[2-(1H-pyrrol-3-yl)ethyl]oxetane-3-carboxamide (CID 115185742) is 3-(aminomethyl)-N-[2-(1H-pyrrol-3-yl)ethyl]oxetane-3-carboxamide.
What is the SMILES notation for 3-(aminomethyl)-N-[2-(1H-pyrrol-3-yl)ethyl]oxetane-3-carboxamide?
The canonical SMILES for 3-(aminomethyl)-N-[2-(1H-pyrrol-3-yl)ethyl]oxetane-3-carboxamide is NCC1(C(=O)NCCc2cc[nH]c2)COC1.
What is the InChIKey of 3-(aminomethyl)-N-[2-(1H-pyrrol-3-yl)ethyl]oxetane-3-carboxamide?
The InChIKey is WNXGYHYQMDXJPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c12-6-11(7-16-8-11)10(15)14-4-2-9-1-3-13-5-9/h1,3,5,13H,2,4,6-8,12H2,(H,14,15).
What are the key properties of 3-(aminomethyl)-N-[2-(1H-pyrrol-3-yl)ethyl]oxetane-3-carboxamide?
3-(aminomethyl)-N-[2-(1H-pyrrol-3-yl)ethyl]oxetane-3-carboxamide has a molecular weight of 223.28 g/mol, XLogP of -0.35, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-[2-(1H-pyrrol-3-yl)ethyl]oxetane-3-carboxamide is sourced from PubChem (CID 115185742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).