4-(aminomethyl)-N-[2-(2-amino-2-oxoethoxy)ethyl]oxane-4-carboxamide

C11H21N3O4 — CID 106235075

IUPAC4-(aminomethyl)-N-[2-(2-amino-2-oxoethoxy)ethyl]oxane-4-carboxamide
SMILESNCC1(C(=O)NCCOCC(N)=O)CCOCC1
InChIInChI=1S/C11H21N3O4/c12-8-11(1-4-17-5-2-11)10(16)14-3-6-18-7-9(13)15/h1-8,12H2,(H2,13,15)(H,14,16)
InChIKeyBQMAVVSXEVNISS-UHFFFAOYSA-N
MW259.31 g/mol
LogP-1.64
Rot. Bonds7

About 4-(aminomethyl)-N-[2-(2-amino-2-oxoethoxy)ethyl]oxane-4-carboxamide

4-(aminomethyl)-N-[2-(2-amino-2-oxoethoxy)ethyl]oxane-4-carboxamide (PubChem CID 106235075) has the molecular formula C11H21N3O4 and a molecular weight of 259.31 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[2-(2-amino-2-oxoethoxy)ethyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[2-(2-amino-2-oxoethoxy)ethyl]oxane-4-carboxamide
PubChem CID106235075
Molecular FormulaC11H21N3O4
Molecular Weight259.31 g/mol
Exact Mass259.15
IUPAC Name4-(aminomethyl)-N-[2-(2-amino-2-oxoethoxy)ethyl]oxane-4-carboxamide
SMILESNCC1(C(=O)NCCOCC(N)=O)CCOCC1
InChIInChI=1S/C11H21N3O4/c12-8-11(1-4-17-5-2-11)10(16)14-3-6-18-7-9(13)15/h1-8,12H2,(H2,13,15)(H,14,16)
InChIKeyBQMAVVSXEVNISS-UHFFFAOYSA-N
XLogP-1.64
TPSA116.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 5-1.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(aminomethyl)-N-[2-(2-amino-2-oxoethoxy)ethyl]cyclohexane-1-carboxamide
CID 106235064
4-(aminomethyl)-N-[2-(cyclopropylmethoxy)ethyl]oxane-4-carboxamide
CID 114097725
1-(aminomethyl)-N-[2-(2-hydroxyethoxy)ethyl]cyclopropane-1-carboxamide
CID 115453135
4-(aminomethyl)-N-[2-[ethyl(propyl)amino]ethyl]oxane-4-carboxamide;dihydrochloride
CID 120942541
4-(aminomethyl)-N-[2-(4-methylphenoxy)ethyl]oxane-4-carboxamide;hydrochloride
CID 120918344
4-(aminomethyl)-N-[2-(2,2-dimethylpropanoylamino)ethyl]oxane-4-carboxamide;hydrochloride
CID 120929562
(2S)-4-[[4-(aminomethyl)oxane-4-carbonyl]amino]-2-hydroxybutanoic acid
CID 107836511
4-(aminomethyl)-N-[2-(2,6-dimethylphenoxy)ethyl]oxane-4-carboxamide;hydrochloride
CID 120925815
4-(aminomethyl)oxane-4-carbohydrazide
CID 115439594
4-(aminomethyl)-N-[2-(4-methylsulfonylphenoxy)ethyl]oxane-4-carboxamide
CID 120931515
1-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-3-methylcyclohexane-1-carboxamide
CID 114162134
1-(aminomethyl)-N-(3-amino-3-oxopropyl)cyclopropane-1-carboxamide
CID 80588317

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[2-(2-amino-2-oxoethoxy)ethyl]oxane-4-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-[2-(2-amino-2-oxoethoxy)ethyl]oxane-4-carboxamide (CID 106235075) is 4-(aminomethyl)-N-[2-(2-amino-2-oxoethoxy)ethyl]oxane-4-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-[2-(2-amino-2-oxoethoxy)ethyl]oxane-4-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-[2-(2-amino-2-oxoethoxy)ethyl]oxane-4-carboxamide is NCC1(C(=O)NCCOCC(N)=O)CCOCC1.
What is the InChIKey of 4-(aminomethyl)-N-[2-(2-amino-2-oxoethoxy)ethyl]oxane-4-carboxamide?
The InChIKey is BQMAVVSXEVNISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O4/c12-8-11(1-4-17-5-2-11)10(16)14-3-6-18-7-9(13)15/h1-8,12H2,(H2,13,15)(H,14,16).
What are the key properties of 4-(aminomethyl)-N-[2-(2-amino-2-oxoethoxy)ethyl]oxane-4-carboxamide?
4-(aminomethyl)-N-[2-(2-amino-2-oxoethoxy)ethyl]oxane-4-carboxamide has a molecular weight of 259.31 g/mol, XLogP of -1.64, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[2-(2-amino-2-oxoethoxy)ethyl]oxane-4-carboxamide is sourced from PubChem (CID 106235075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).