2-[2-[2-hydroxyethyl(pentan-3-yl)amino]-2-oxoethoxy]acetic acid

C11H21NO5 — CID 54993846

IUPAC2-[2-[2-hydroxyethyl(pentan-3-yl)amino]-2-oxoethoxy]acetic acid
SMILESCCC(CC)N(CCO)C(=O)COCC(=O)O
InChIInChI=1S/C11H21NO5/c1-3-9(4-2)12(5-6-13)10(14)7-17-8-11(15)16/h9,13H,3-8H2,1-2H3,(H,15,16)
InChIKeyNAKFFZURQZTOPE-UHFFFAOYSA-N
MW247.29 g/mol
LogP0.10
Rot. Bonds9

About 2-[2-[2-hydroxyethyl(pentan-3-yl)amino]-2-oxoethoxy]acetic acid

2-[2-[2-hydroxyethyl(pentan-3-yl)amino]-2-oxoethoxy]acetic acid (PubChem CID 54993846) has the molecular formula C11H21NO5 and a molecular weight of 247.29 g/mol. Its IUPAC name is 2-[2-[2-hydroxyethyl(pentan-3-yl)amino]-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[2-hydroxyethyl(pentan-3-yl)amino]-2-oxoethoxy]acetic acid
PubChem CID54993846
Molecular FormulaC11H21NO5
Molecular Weight247.29 g/mol
Exact Mass247.14
IUPAC Name2-[2-[2-hydroxyethyl(pentan-3-yl)amino]-2-oxoethoxy]acetic acid
SMILESCCC(CC)N(CCO)C(=O)COCC(=O)O
InChIInChI=1S/C11H21NO5/c1-3-9(4-2)12(5-6-13)10(14)7-17-8-11(15)16/h9,13H,3-8H2,1-2H3,(H,15,16)
InChIKeyNAKFFZURQZTOPE-UHFFFAOYSA-N
XLogP0.10
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[2-methylpropyl(pentan-3-yl)amino]-2-oxoethoxy]acetic acid
CID 79484032
2-[2-[2-hydroxyethyl(pentan-3-yl)amino]-2-oxoethyl]sulfanylacetic acid
CID 104569767
N-(2-hydroxyethyl)-N-pentan-3-ylnonanamide
CID 54994470
2-[2-[1-hydroxypropan-2-yl(methyl)amino]-2-oxoethoxy]acetic acid
CID 104551501
2-(2-aminoethoxy)-N-(2-methoxyethyl)-N-pentan-3-ylacetamide
CID 79474034
2-[2-[(2-ethoxy-2-oxoethyl)-propan-2-ylamino]-2-oxoethoxy]acetic acid
CID 61327891
2-[2-[ethyl(2-methylbutyl)amino]-2-oxoethoxy]acetic acid
CID 79477429
(2S)-2-amino-N-(2-hydroxyethyl)-3-methyl-N-pentan-3-ylpentanamide
CID 54998676
N-(2-hydroxyethyl)-N-pentan-3-yl-3-piperidin-4-yloxypropanamide
CID 63904113
2-ethoxyacetic acid
CID 159744705
2-[[2-hydroxyethyl(pentan-3-yl)carbamoyl]-(2-methylpropyl)amino]acetic acid
CID 63064052
2-[2-(aminomethyl)phenyl]-N-(2-hydroxyethyl)-N-pentan-3-ylacetamide
CID 81322315

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-hydroxyethyl(pentan-3-yl)amino]-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-[2-hydroxyethyl(pentan-3-yl)amino]-2-oxoethoxy]acetic acid (CID 54993846) is 2-[2-[2-hydroxyethyl(pentan-3-yl)amino]-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-[2-hydroxyethyl(pentan-3-yl)amino]-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-[2-hydroxyethyl(pentan-3-yl)amino]-2-oxoethoxy]acetic acid is CCC(CC)N(CCO)C(=O)COCC(=O)O.
What is the InChIKey of 2-[2-[2-hydroxyethyl(pentan-3-yl)amino]-2-oxoethoxy]acetic acid?
The InChIKey is NAKFFZURQZTOPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO5/c1-3-9(4-2)12(5-6-13)10(14)7-17-8-11(15)16/h9,13H,3-8H2,1-2H3,(H,15,16).
What are the key properties of 2-[2-[2-hydroxyethyl(pentan-3-yl)amino]-2-oxoethoxy]acetic acid?
2-[2-[2-hydroxyethyl(pentan-3-yl)amino]-2-oxoethoxy]acetic acid has a molecular weight of 247.29 g/mol, XLogP of 0.10, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-hydroxyethyl(pentan-3-yl)amino]-2-oxoethoxy]acetic acid is sourced from PubChem (CID 54993846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).