2-[2-methoxyethyl-[3-oxo-3-(propan-2-ylamino)propyl]amino]acetic acid

C11H22N2O4 — CID 62626971

IUPAC2-[2-methoxyethyl-[3-oxo-3-(propan-2-ylamino)propyl]amino]acetic acid
SMILESCOCCN(CCC(=O)NC(C)C)CC(=O)O
InChIInChI=1S/C11H22N2O4/c1-9(2)12-10(14)4-5-13(6-7-17-3)8-11(15)16/h9H,4-8H2,1-3H3,(H,12,14)(H,15,16)
InChIKeyWRKFRUIQTRVOIT-UHFFFAOYSA-N
MW246.31 g/mol
LogP-0.07
Rot. Bonds9

About 2-[2-methoxyethyl-[3-oxo-3-(propan-2-ylamino)propyl]amino]acetic acid

2-[2-methoxyethyl-[3-oxo-3-(propan-2-ylamino)propyl]amino]acetic acid (PubChem CID 62626971) has the molecular formula C11H22N2O4 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-[2-methoxyethyl-[3-oxo-3-(propan-2-ylamino)propyl]amino]acetic acid.

Molecular Properties

Compound Name2-[2-methoxyethyl-[3-oxo-3-(propan-2-ylamino)propyl]amino]acetic acid
PubChem CID62626971
Molecular FormulaC11H22N2O4
Molecular Weight246.31 g/mol
Exact Mass246.16
IUPAC Name2-[2-methoxyethyl-[3-oxo-3-(propan-2-ylamino)propyl]amino]acetic acid
SMILESCOCCN(CCC(=O)NC(C)C)CC(=O)O
InChIInChI=1S/C11H22N2O4/c1-9(2)12-10(14)4-5-13(6-7-17-3)8-11(15)16/h9H,4-8H2,1-3H3,(H,12,14)(H,15,16)
InChIKeyWRKFRUIQTRVOIT-UHFFFAOYSA-N
XLogP-0.07
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[ethyl-[3-oxo-3-(propan-2-ylamino)propyl]amino]acetic acid
CID 62626788
2-[(2-amino-2-oxoethyl)-[3-oxo-3-(propan-2-ylamino)propyl]amino]acetic acid
CID 107440146
2-[[3-oxo-3-(propan-2-ylamino)propyl]-prop-2-enylamino]acetic acid
CID 79277550
2-[acetyl(2-methoxyethyl)amino]-N-propan-2-ylacetamide
CID 113159791
3-[[2-(butan-2-ylamino)-2-oxoethyl]-(3-methoxypropyl)amino]propanoic acid
CID 82327325
3-[2-methoxyethyl(propyl)amino]propanoic acid
CID 82328080
2-[bis(2-propan-2-yloxyethyl)amino]acetic acid
CID 157202089
3-[2-(dimethylamino)ethyl-(2-methoxyethyl)amino]propanoic acid
CID 82330232
2-[cyclobutylmethyl(2-methoxyethyl)amino]acetic acid
CID 65457394
2-[2-[2-[bis(2-methoxy-2-oxoethyl)amino]ethyl-(2-methoxy-2-oxoethyl)amino]ethyl-(2-methoxy-2-oxoethyl)amino]acetic acid
CID 19388423
2-[4-methoxybutan-2-yl(2-methoxyethyl)amino]acetic acid
CID 65067403
2-[2-[2-(1-carboxyethoxy)ethyl-(carboxymethyl)amino]ethoxy]propanoic acid
CID 90459132

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxyethyl-[3-oxo-3-(propan-2-ylamino)propyl]amino]acetic acid?
The IUPAC name of 2-[2-methoxyethyl-[3-oxo-3-(propan-2-ylamino)propyl]amino]acetic acid (CID 62626971) is 2-[2-methoxyethyl-[3-oxo-3-(propan-2-ylamino)propyl]amino]acetic acid.
What is the SMILES notation for 2-[2-methoxyethyl-[3-oxo-3-(propan-2-ylamino)propyl]amino]acetic acid?
The canonical SMILES for 2-[2-methoxyethyl-[3-oxo-3-(propan-2-ylamino)propyl]amino]acetic acid is COCCN(CCC(=O)NC(C)C)CC(=O)O.
What is the InChIKey of 2-[2-methoxyethyl-[3-oxo-3-(propan-2-ylamino)propyl]amino]acetic acid?
The InChIKey is WRKFRUIQTRVOIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4/c1-9(2)12-10(14)4-5-13(6-7-17-3)8-11(15)16/h9H,4-8H2,1-3H3,(H,12,14)(H,15,16).
What are the key properties of 2-[2-methoxyethyl-[3-oxo-3-(propan-2-ylamino)propyl]amino]acetic acid?
2-[2-methoxyethyl-[3-oxo-3-(propan-2-ylamino)propyl]amino]acetic acid has a molecular weight of 246.31 g/mol, XLogP of -0.07, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxyethyl-[3-oxo-3-(propan-2-ylamino)propyl]amino]acetic acid is sourced from PubChem (CID 62626971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).