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

C11H14N2O3 — CID 66173321

IUPAC2-[4-(2-amino-2-oxoethyl)anilino]propanoic acid
SMILESCC(Nc1ccc(CC(N)=O)cc1)C(=O)O
InChIInChI=1S/C11H14N2O3/c1-7(11(15)16)13-9-4-2-8(3-5-9)6-10(12)14/h2-5,7,13H,6H2,1H3,(H2,12,14)(H,15,16)
InChIKeyQAJAHNCKNUJSIT-UHFFFAOYSA-N
MW222.24 g/mol
LogP0.60
Rot. Bonds5

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

2-[4-(2-amino-2-oxoethyl)anilino]propanoic acid (PubChem CID 66173321) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 2-[4-(2-amino-2-oxoethyl)anilino]propanoic acid.

Molecular Properties

Compound Name2-[4-(2-amino-2-oxoethyl)anilino]propanoic acid
PubChem CID66173321
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name2-[4-(2-amino-2-oxoethyl)anilino]propanoic acid
SMILESCC(Nc1ccc(CC(N)=O)cc1)C(=O)O
InChIInChI=1S/C11H14N2O3/c1-7(11(15)16)13-9-4-2-8(3-5-9)6-10(12)14/h2-5,7,13H,6H2,1H3,(H2,12,14)(H,15,16)
InChIKeyQAJAHNCKNUJSIT-UHFFFAOYSA-N
XLogP0.60
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2-amino-2-oxoethyl)anilino]butanoic acid
CID 115352781
2-[4-(2-hydroxyethyl)anilino]propanoic acid
CID 66174351
2-[4-(3-methylpentan-2-ylamino)phenyl]acetamide
CID 43724019
2-[4-(5-methylheptan-3-ylamino)phenyl]acetamide
CID 43724150
2-[4-(1-methylsulfonylpropan-2-ylamino)phenyl]acetamide
CID 64630132
ethane;2-[4-(methylamino)phenyl]acetamide
CID 142212219
4-[[(1R)-1-carboxyethyl]amino]benzoic acid
CID 45089845
(2S)-2-(4-propan-2-ylanilino)propanoic acid
CID 40788300
2-anilinopropanoic acid;hydrochloride
CID 19096756
2-[4-[1-(5-bromothiophen-2-yl)ethylamino]phenyl]acetamide
CID 54898078
2-[4-[1-(4-methylsulfanylphenyl)ethylamino]phenyl]acetamide
CID 43724125
(2S)-2-amino-3-[4-(2-amino-2-oxoethyl)phenyl]propanoic acid
CID 169025021

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-amino-2-oxoethyl)anilino]propanoic acid?
The IUPAC name of 2-[4-(2-amino-2-oxoethyl)anilino]propanoic acid (CID 66173321) is 2-[4-(2-amino-2-oxoethyl)anilino]propanoic acid.
What is the SMILES notation for 2-[4-(2-amino-2-oxoethyl)anilino]propanoic acid?
The canonical SMILES for 2-[4-(2-amino-2-oxoethyl)anilino]propanoic acid is CC(Nc1ccc(CC(N)=O)cc1)C(=O)O.
What is the InChIKey of 2-[4-(2-amino-2-oxoethyl)anilino]propanoic acid?
The InChIKey is QAJAHNCKNUJSIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-7(11(15)16)13-9-4-2-8(3-5-9)6-10(12)14/h2-5,7,13H,6H2,1H3,(H2,12,14)(H,15,16).
What are the key properties of 2-[4-(2-amino-2-oxoethyl)anilino]propanoic acid?
2-[4-(2-amino-2-oxoethyl)anilino]propanoic acid has a molecular weight of 222.24 g/mol, XLogP of 0.60, 5 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]propanoic acid is sourced from PubChem (CID 66173321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).