2-[2-[4-(3-amino-3-oxopropoxy)anilino]-2-oxoethoxy]acetic acid

C13H16N2O6 — CID 61329797

IUPAC2-[2-[4-(3-amino-3-oxopropoxy)anilino]-2-oxoethoxy]acetic acid
SMILESNC(=O)CCOc1ccc(NC(=O)COCC(=O)O)cc1
InChIInChI=1S/C13H16N2O6/c14-11(16)5-6-21-10-3-1-9(2-4-10)15-12(17)7-20-8-13(18)19/h1-4H,5-8H2,(H2,14,16)(H,15,17)(H,18,19)
InChIKeyQBHZDPQDTYQWHT-UHFFFAOYSA-N
MW296.28 g/mol
LogP-0.02
Rot. Bonds9

About 2-[2-[4-(3-amino-3-oxopropoxy)anilino]-2-oxoethoxy]acetic acid

2-[2-[4-(3-amino-3-oxopropoxy)anilino]-2-oxoethoxy]acetic acid (PubChem CID 61329797) has the molecular formula C13H16N2O6 and a molecular weight of 296.28 g/mol. Its IUPAC name is 2-[2-[4-(3-amino-3-oxopropoxy)anilino]-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[4-(3-amino-3-oxopropoxy)anilino]-2-oxoethoxy]acetic acid
PubChem CID61329797
Molecular FormulaC13H16N2O6
Molecular Weight296.28 g/mol
Exact Mass296.10
IUPAC Name2-[2-[4-(3-amino-3-oxopropoxy)anilino]-2-oxoethoxy]acetic acid
SMILESNC(=O)CCOc1ccc(NC(=O)COCC(=O)O)cc1
InChIInChI=1S/C13H16N2O6/c14-11(16)5-6-21-10-3-1-9(2-4-10)15-12(17)7-20-8-13(18)19/h1-4H,5-8H2,(H2,14,16)(H,15,17)(H,18,19)
InChIKeyQBHZDPQDTYQWHT-UHFFFAOYSA-N
XLogP-0.02
TPSA127.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[4-(3-amino-3-oxopropoxy)phenyl]propanamide
CID 43700453
3-[4-[[2-(2-benzylphenoxy)acetyl]amino]phenoxy]propanamide
CID 55841009
3-amino-N-[4-(3-amino-3-oxopropoxy)phenyl]butanamide;hydrochloride
CID 119733597
4-[[2-(carboxymethoxy)acetyl]amino]benzoic acid
CID 61327264
N-[4-(3-amino-3-oxopropoxy)phenyl]-4-oxo-4-(4-propoxyphenyl)butanamide
CID 55727969
(2R)-2-amino-N-[4-(3-amino-3-oxopropoxy)phenyl]propanamide;hydrochloride
CID 119294951
N-[4-(3-amino-3-oxopropoxy)phenyl]-2-bromopropanamide
CID 114014328
2-[4-(3-ethoxypropanoylamino)phenoxy]acetic acid
CID 55242073
3-[4-[(2-piperidin-4-ylacetyl)amino]phenoxy]propanamide
CID 119733584
2-[2-[2-(4-ethoxyanilino)-2-oxoethoxy]ethoxy]-N-(4-ethoxyphenyl)acetamide
CID 101189832
2-ethoxy-N-[4-(2-methoxyethoxy)phenyl]acetamide
CID 60758701
N-[4-(3-amino-3-oxopropoxy)phenyl]-3-methyl-5-phenylpentanamide
CID 86866265

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(3-amino-3-oxopropoxy)anilino]-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-[4-(3-amino-3-oxopropoxy)anilino]-2-oxoethoxy]acetic acid (CID 61329797) is 2-[2-[4-(3-amino-3-oxopropoxy)anilino]-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-[4-(3-amino-3-oxopropoxy)anilino]-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-[4-(3-amino-3-oxopropoxy)anilino]-2-oxoethoxy]acetic acid is NC(=O)CCOc1ccc(NC(=O)COCC(=O)O)cc1.
What is the InChIKey of 2-[2-[4-(3-amino-3-oxopropoxy)anilino]-2-oxoethoxy]acetic acid?
The InChIKey is QBHZDPQDTYQWHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O6/c14-11(16)5-6-21-10-3-1-9(2-4-10)15-12(17)7-20-8-13(18)19/h1-4H,5-8H2,(H2,14,16)(H,15,17)(H,18,19).
What are the key properties of 2-[2-[4-(3-amino-3-oxopropoxy)anilino]-2-oxoethoxy]acetic acid?
2-[2-[4-(3-amino-3-oxopropoxy)anilino]-2-oxoethoxy]acetic acid has a molecular weight of 296.28 g/mol, XLogP of -0.02, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(3-amino-3-oxopropoxy)anilino]-2-oxoethoxy]acetic acid is sourced from PubChem (CID 61329797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).