N-[2-(aminomethoxy)ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide;methane

C12H23N3O4 — CID 161269407

IUPACN-[2-(aminomethoxy)ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide;methane
SMILESC.C.NCOCCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C10H15N3O4.2CH4/c11-7-17-6-4-12-8(14)3-5-13-9(15)1-2-10(13)16;;/h1-2H,3-7,11H2,(H,12,14);2*1H4
InChIKeyVDPQSGWLGUBCDM-UHFFFAOYSA-N
MW273.33 g/mol
LogP-0.38
Rot. Bonds7

About N-[2-(aminomethoxy)ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide;methane

N-[2-(aminomethoxy)ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide;methane (PubChem CID 161269407) has the molecular formula C12H23N3O4 and a molecular weight of 273.33 g/mol. Its IUPAC name is N-[2-(aminomethoxy)ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide;methane.

Molecular Properties

Compound NameN-[2-(aminomethoxy)ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide;methane
PubChem CID161269407
Molecular FormulaC12H23N3O4
Molecular Weight273.33 g/mol
Exact Mass273.17
IUPAC NameN-[2-(aminomethoxy)ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide;methane
SMILESC.C.NCOCCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C10H15N3O4.2CH4/c11-7-17-6-4-12-8(14)3-5-13-9(15)1-2-10(13)16;;/h1-2H,3-7,11H2,(H,12,14);2*1H4
InChIKeyVDPQSGWLGUBCDM-UHFFFAOYSA-N
XLogP-0.38
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)-N-(2-(2-methoxyethoxy)ethyl)propanamide
CID 58005095
Poly(oxy-1,2-ethanediyl), I+/--[3-[[3-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)-1-oxopropyl]amino]propyl]-I-methoxy-
CID 58005097
N,N'-((Ethane-1,2-diylbis(oxy))bis(ethane-2,1-diyl))bis(3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)propanamide)
CID 59628078
alpha-[2-[[3-(2,5-Dihydro-2,5-dioxo-1H-pyrrol-1-yl)-1-oxopropyl]amino]ethyl]-omega-hydroxypoly(oxy-1,2-ethanediyl)
CID 68311348
N-(2-(2-(2-Aminoethoxy)ethoxy)ethyl)-3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)propanamide
CID 90184424
3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-oxo-2-(pentylamino)ethoxy]ethyl]propanamide
CID 18345573
3-(2,5-dioxopyrrol-1-yl)-N-[2-(2-oxopropoxy)ethyl]propanamide
CID 22961656
3-(2,5-dioxopyrrol-1-yl)-N-(2-ethoxyethyl)propanamide
CID 23506200
m-PEG4-Mal
CID 51341049
m-PEG8-Mal
CID 51341050
2-(2,5-dioxopyrrol-1-yl)ethyl N-propan-2-ylcarbamate
CID 53658592
tert-Butyl (2-(2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)ethoxy)ethyl)carbamate
CID 54003304

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethoxy)ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide;methane?
The IUPAC name of N-[2-(aminomethoxy)ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide;methane (CID 161269407) is N-[2-(aminomethoxy)ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide;methane.
What is the SMILES notation for N-[2-(aminomethoxy)ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide;methane?
The canonical SMILES for N-[2-(aminomethoxy)ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide;methane is C.C.NCOCCNC(=O)CCN1C(=O)C=CC1=O.
What is the InChIKey of N-[2-(aminomethoxy)ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide;methane?
The InChIKey is VDPQSGWLGUBCDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4.2CH4/c11-7-17-6-4-12-8(14)3-5-13-9(15)1-2-10(13)16;;/h1-2H,3-7,11H2,(H,12,14);2*1H4.
What are the key properties of N-[2-(aminomethoxy)ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide;methane?
N-[2-(aminomethoxy)ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide;methane has a molecular weight of 273.33 g/mol, XLogP of -0.38, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethoxy)ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide;methane is sourced from PubChem (CID 161269407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).