2-[N-(2-carboxyethyl)-2-ethylanilino]propanoic acid

C14H19NO4 — CID 82317140

IUPAC2-[N-(2-carboxyethyl)-2-ethylanilino]propanoic acid
SMILESCCc1ccccc1N(CCC(=O)O)C(C)C(=O)O
InChIInChI=1S/C14H19NO4/c1-3-11-6-4-5-7-12(11)15(9-8-13(16)17)10(2)14(18)19/h4-7,10H,3,8-9H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyDDICBPABASTCKY-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.00
Rot. Bonds7

About 2-[N-(2-carboxyethyl)-2-ethylanilino]propanoic acid

2-[N-(2-carboxyethyl)-2-ethylanilino]propanoic acid (PubChem CID 82317140) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[N-(2-carboxyethyl)-2-ethylanilino]propanoic acid.

Molecular Properties

Compound Name2-[N-(2-carboxyethyl)-2-ethylanilino]propanoic acid
PubChem CID82317140
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name2-[N-(2-carboxyethyl)-2-ethylanilino]propanoic acid
SMILESCCc1ccccc1N(CCC(=O)O)C(C)C(=O)O
InChIInChI=1S/C14H19NO4/c1-3-11-6-4-5-7-12(11)15(9-8-13(16)17)10(2)14(18)19/h4-7,10H,3,8-9H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyDDICBPABASTCKY-UHFFFAOYSA-N
XLogP2.00
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[N-(2-carboxyethyl)-3-chloro-2-methylanilino]propanoic acid
CID 82317155
3-(N-[2-(diethylamino)-2-oxoethyl]-2-ethylanilino)propanoic acid
CID 95529076
3-(N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]anilino)propanoic acid
CID 60840433
(2R)-2-[naphthalen-1-yl(propyl)amino]propanoic acid
CID 125045111
3-[(2-ethylphenyl)methyl-propan-2-ylamino]propanoic acid
CID 65057399
(2R)-2-(N-ethyl-2-methylanilino)propanoic acid
CID 124509883
3-(2-methyl-N-pentan-3-ylanilino)propanoic acid
CID 65059233
2-[N-(2-carboxyethyl)-3-fluoroanilino]propanoic acid
CID 82317163
2-[benzoyl(2-carboxyethyl)amino]propanoic acid
CID 82324506
3-[N-[3-(dimethylamino)propyl]-2-ethylanilino]-2-methylpropanoic acid
CID 82320010
3-(2-methoxy-N-propan-2-ylanilino)propanoic acid
CID 82318620
2-[(2-ethylphenyl)carbamoyl-methylamino]propanoic acid
CID 55096880

Frequently Asked Questions

What is the IUPAC name of 2-[N-(2-carboxyethyl)-2-ethylanilino]propanoic acid?
The IUPAC name of 2-[N-(2-carboxyethyl)-2-ethylanilino]propanoic acid (CID 82317140) is 2-[N-(2-carboxyethyl)-2-ethylanilino]propanoic acid.
What is the SMILES notation for 2-[N-(2-carboxyethyl)-2-ethylanilino]propanoic acid?
The canonical SMILES for 2-[N-(2-carboxyethyl)-2-ethylanilino]propanoic acid is CCc1ccccc1N(CCC(=O)O)C(C)C(=O)O.
What is the InChIKey of 2-[N-(2-carboxyethyl)-2-ethylanilino]propanoic acid?
The InChIKey is DDICBPABASTCKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-3-11-6-4-5-7-12(11)15(9-8-13(16)17)10(2)14(18)19/h4-7,10H,3,8-9H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 2-[N-(2-carboxyethyl)-2-ethylanilino]propanoic acid?
2-[N-(2-carboxyethyl)-2-ethylanilino]propanoic acid has a molecular weight of 265.31 g/mol, XLogP of 2.00, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(2-carboxyethyl)-2-ethylanilino]propanoic acid is sourced from PubChem (CID 82317140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).