2-[[2-(2-amino-2-oxoethoxy)ethylcarbamoylamino]methyl]-2-methylbutanoic acid

C11H21N3O5 — CID 106239228

IUPAC2-[[2-(2-amino-2-oxoethoxy)ethylcarbamoylamino]methyl]-2-methylbutanoic acid
SMILESCCC(C)(CNC(=O)NCCOCC(N)=O)C(=O)O
InChIInChI=1S/C11H21N3O5/c1-3-11(2,9(16)17)7-14-10(18)13-4-5-19-6-8(12)15/h3-7H2,1-2H3,(H2,12,15)(H,16,17)(H2,13,14,18)
InChIKeyXNGGHXNNLRSCHC-UHFFFAOYSA-N
MW275.31 g/mol
LogP-0.71
Rot. Bonds9

About 2-[[2-(2-amino-2-oxoethoxy)ethylcarbamoylamino]methyl]-2-methylbutanoic acid

2-[[2-(2-amino-2-oxoethoxy)ethylcarbamoylamino]methyl]-2-methylbutanoic acid (PubChem CID 106239228) has the molecular formula C11H21N3O5 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-[[2-(2-amino-2-oxoethoxy)ethylcarbamoylamino]methyl]-2-methylbutanoic acid.

Molecular Properties

Compound Name2-[[2-(2-amino-2-oxoethoxy)ethylcarbamoylamino]methyl]-2-methylbutanoic acid
PubChem CID106239228
Molecular FormulaC11H21N3O5
Molecular Weight275.31 g/mol
Exact Mass275.15
IUPAC Name2-[[2-(2-amino-2-oxoethoxy)ethylcarbamoylamino]methyl]-2-methylbutanoic acid
SMILESCCC(C)(CNC(=O)NCCOCC(N)=O)C(=O)O
InChIInChI=1S/C11H21N3O5/c1-3-11(2,9(16)17)7-14-10(18)13-4-5-19-6-8(12)15/h3-7H2,1-2H3,(H2,12,15)(H,16,17)(H2,13,14,18)
InChIKeyXNGGHXNNLRSCHC-UHFFFAOYSA-N
XLogP-0.71
TPSA130.75 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 5-0.71
H-Bond Donors ≤ 54
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-(2,2,2-trifluoroethylcarbamoylamino)ethoxy]acetamide
CID 103816384
N-[2-(2-amino-2-oxoethoxy)ethyl]-2-carbamothioyl-2-methylbutanamide
CID 106237122
tert-butyl N-[2-(2-amino-2-oxoethoxy)ethyl]carbamate
CID 103658687
2-[(2-ethoxyethylcarbamoylamino)methyl]-2-ethylbutanoic acid
CID 115430890
5-[2-(2-amino-2-oxoethoxy)ethylcarbamoylamino]pentanoic acid
CID 114162551
(2R)-2-[2-(2-amino-2-oxoethoxy)ethylcarbamoylamino]butanoic acid
CID 106239604
2-[2-(propylcarbamothioylamino)ethoxy]acetamide
CID 106235159
2-[2-(pentylcarbamoylamino)ethoxy]acetic acid
CID 79463025
2-hydroxy-3-[2-(2-methoxyethoxy)ethylcarbamoylamino]-2-methylpropanoic acid
CID 66175532
2-[2-(propylamino)ethoxy]acetamide
CID 62336867
2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]propanamide
CID 106236536
2-[2-[(2-ethyl-2-methylpentanoyl)amino]ethylcarbamoylamino]ethyl 2-methylprop-2-enoate
CID 130348448

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-amino-2-oxoethoxy)ethylcarbamoylamino]methyl]-2-methylbutanoic acid?
The IUPAC name of 2-[[2-(2-amino-2-oxoethoxy)ethylcarbamoylamino]methyl]-2-methylbutanoic acid (CID 106239228) is 2-[[2-(2-amino-2-oxoethoxy)ethylcarbamoylamino]methyl]-2-methylbutanoic acid.
What is the SMILES notation for 2-[[2-(2-amino-2-oxoethoxy)ethylcarbamoylamino]methyl]-2-methylbutanoic acid?
The canonical SMILES for 2-[[2-(2-amino-2-oxoethoxy)ethylcarbamoylamino]methyl]-2-methylbutanoic acid is CCC(C)(CNC(=O)NCCOCC(N)=O)C(=O)O.
What is the InChIKey of 2-[[2-(2-amino-2-oxoethoxy)ethylcarbamoylamino]methyl]-2-methylbutanoic acid?
The InChIKey is XNGGHXNNLRSCHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O5/c1-3-11(2,9(16)17)7-14-10(18)13-4-5-19-6-8(12)15/h3-7H2,1-2H3,(H2,12,15)(H,16,17)(H2,13,14,18).
What are the key properties of 2-[[2-(2-amino-2-oxoethoxy)ethylcarbamoylamino]methyl]-2-methylbutanoic acid?
2-[[2-(2-amino-2-oxoethoxy)ethylcarbamoylamino]methyl]-2-methylbutanoic acid has a molecular weight of 275.31 g/mol, XLogP of -0.71, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-amino-2-oxoethoxy)ethylcarbamoylamino]methyl]-2-methylbutanoic acid is sourced from PubChem (CID 106239228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).