2-[4-(2-amino-2-oxoethyl)anilino]butanoic acid

C12H16N2O3 — CID 115352781

IUPAC2-[4-(2-amino-2-oxoethyl)anilino]butanoic acid
SMILESCCC(Nc1ccc(CC(N)=O)cc1)C(=O)O
InChIInChI=1S/C12H16N2O3/c1-2-10(12(16)17)14-9-5-3-8(4-6-9)7-11(13)15/h3-6,10,14H,2,7H2,1H3,(H2,13,15)(H,16,17)
InChIKeyUGRYVWREDDMEJG-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.99
Rot. Bonds6

About 2-[4-(2-amino-2-oxoethyl)anilino]butanoic acid

2-[4-(2-amino-2-oxoethyl)anilino]butanoic acid (PubChem CID 115352781) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-[4-(2-amino-2-oxoethyl)anilino]butanoic acid.

Molecular Properties

Compound Name2-[4-(2-amino-2-oxoethyl)anilino]butanoic acid
PubChem CID115352781
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name2-[4-(2-amino-2-oxoethyl)anilino]butanoic acid
SMILESCCC(Nc1ccc(CC(N)=O)cc1)C(=O)O
InChIInChI=1S/C12H16N2O3/c1-2-10(12(16)17)14-9-5-3-8(4-6-9)7-11(13)15/h3-6,10,14H,2,7H2,1H3,(H2,13,15)(H,16,17)
InChIKeyUGRYVWREDDMEJG-UHFFFAOYSA-N
XLogP0.99
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2-amino-2-oxoethyl)anilino]propanoic acid
CID 66173321
2-[4-(3-methylpentan-2-ylamino)phenyl]acetamide
CID 43724019
2-[4-(5-methylheptan-3-ylamino)phenyl]acetamide
CID 43724150
2-[4-(pyrazol-1-ylmethyl)anilino]butanoic acid
CID 115353094
2-(4-ethylanilino)pentanoic acid
CID 83038138
2-(3-carbamoyl-4-fluoroanilino)butanoic acid
CID 115352673
ethane;2-[4-(methylamino)phenyl]acetamide
CID 142212219
2-[4-[1-(4-methylsulfanylphenyl)ethylamino]phenyl]acetamide
CID 43724125
2-[4-(1-methylsulfonylpropan-2-ylamino)phenyl]acetamide
CID 64630132
2-(4-iodoanilino)butanamide
CID 62900403
3-amino-N-[4-(2-amino-2-oxoethyl)phenyl]-2-methylpropanamide
CID 62671203
2-[4-[1-(5-ethylthiophen-2-yl)ethylamino]phenyl]acetamide
CID 61334963

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-amino-2-oxoethyl)anilino]butanoic acid?
The IUPAC name of 2-[4-(2-amino-2-oxoethyl)anilino]butanoic acid (CID 115352781) is 2-[4-(2-amino-2-oxoethyl)anilino]butanoic acid.
What is the SMILES notation for 2-[4-(2-amino-2-oxoethyl)anilino]butanoic acid?
The canonical SMILES for 2-[4-(2-amino-2-oxoethyl)anilino]butanoic acid is CCC(Nc1ccc(CC(N)=O)cc1)C(=O)O.
What is the InChIKey of 2-[4-(2-amino-2-oxoethyl)anilino]butanoic acid?
The InChIKey is UGRYVWREDDMEJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-2-10(12(16)17)14-9-5-3-8(4-6-9)7-11(13)15/h3-6,10,14H,2,7H2,1H3,(H2,13,15)(H,16,17).
What are the key properties of 2-[4-(2-amino-2-oxoethyl)anilino]butanoic acid?
2-[4-(2-amino-2-oxoethyl)anilino]butanoic acid has a molecular weight of 236.27 g/mol, XLogP of 0.99, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-amino-2-oxoethyl)anilino]butanoic acid is sourced from PubChem (CID 115352781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).