3-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-2-methylpropanamide

C8H17N3O3 — CID 106235091

IUPAC3-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-2-methylpropanamide
SMILESCC(CN)C(=O)NCCOCC(N)=O
InChIInChI=1S/C8H17N3O3/c1-6(4-9)8(13)11-2-3-14-5-7(10)12/h6H,2-5,9H2,1H3,(H2,10,12)(H,11,13)
InChIKeySUTQKWICYVPTGI-UHFFFAOYSA-N
MW203.24 g/mol
LogP-1.80
Rot. Bonds7

About 3-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-2-methylpropanamide

3-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-2-methylpropanamide (PubChem CID 106235091) has the molecular formula C8H17N3O3 and a molecular weight of 203.24 g/mol. Its IUPAC name is 3-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-2-methylpropanamide.

Molecular Properties

Compound Name3-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-2-methylpropanamide
PubChem CID106235091
Molecular FormulaC8H17N3O3
Molecular Weight203.24 g/mol
Exact Mass203.13
IUPAC Name3-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-2-methylpropanamide
SMILESCC(CN)C(=O)NCCOCC(N)=O
InChIInChI=1S/C8H17N3O3/c1-6(4-9)8(13)11-2-3-14-5-7(10)12/h6H,2-5,9H2,1H3,(H2,10,12)(H,11,13)
InChIKeySUTQKWICYVPTGI-UHFFFAOYSA-N
XLogP-1.80
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 5-1.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[(3-amino-2-methylpropanoyl)amino]ethoxy]acetic acid
CID 79457207
2-(aminomethyl)-N-[2-(2-amino-2-oxoethoxy)ethyl]-3-methylbutanamide
CID 106235067
2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]propanamide
CID 106236536
N-[2-(2-amino-2-oxoethoxy)ethyl]-3-(ethylamino)-2-methylpropanamide
CID 106236540
N-[2-(2-amino-2-oxoethoxy)ethyl]-2-cyano-3-methylbutanamide
CID 106236788
2-[2-[2-(2-methylpentanoylamino)ethoxy]ethoxy]acetic acid
CID 165351114
N-[2-(2-amino-2-oxoethoxy)ethyl]-3-propan-2-yloxypropanamide
CID 169159444
2-[2-(2-methylpropylamino)ethoxy]acetamide
CID 106235482
3-amino-N-(2-hydroxyethyl)-2-methylpropanamide
CID 54555473
tert-butyl N-[2-(2-amino-2-oxoethoxy)ethyl]carbamate
CID 103658687
2-[2-(propylcarbamothioylamino)ethoxy]acetamide
CID 106235159
2-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethoxy]acetamide
CID 103767893

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-2-methylpropanamide?
The IUPAC name of 3-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-2-methylpropanamide (CID 106235091) is 3-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-2-methylpropanamide.
What is the SMILES notation for 3-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-2-methylpropanamide?
The canonical SMILES for 3-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-2-methylpropanamide is CC(CN)C(=O)NCCOCC(N)=O.
What is the InChIKey of 3-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-2-methylpropanamide?
The InChIKey is SUTQKWICYVPTGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O3/c1-6(4-9)8(13)11-2-3-14-5-7(10)12/h6H,2-5,9H2,1H3,(H2,10,12)(H,11,13).
What are the key properties of 3-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-2-methylpropanamide?
3-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-2-methylpropanamide has a molecular weight of 203.24 g/mol, XLogP of -1.80, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-2-methylpropanamide is sourced from PubChem (CID 106235091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).