2-[2-(2,4-dichlorophenyl)ethylcarbamoylamino]propanoic acid

C12H14Cl2N2O3 — CID 61183611

IUPAC2-[2-(2,4-dichlorophenyl)ethylcarbamoylamino]propanoic acid
SMILESCC(NC(=O)NCCc1ccc(Cl)cc1Cl)C(=O)O
InChIInChI=1S/C12H14Cl2N2O3/c1-7(11(17)18)16-12(19)15-5-4-8-2-3-9(13)6-10(8)14/h2-3,6-7H,4-5H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyWUOZIWUDHROEBV-UHFFFAOYSA-N
MW305.16 g/mol
LogP2.31
Rot. Bonds5

About 2-[2-(2,4-dichlorophenyl)ethylcarbamoylamino]propanoic acid

2-[2-(2,4-dichlorophenyl)ethylcarbamoylamino]propanoic acid (PubChem CID 61183611) has the molecular formula C12H14Cl2N2O3 and a molecular weight of 305.16 g/mol. Its IUPAC name is 2-[2-(2,4-dichlorophenyl)ethylcarbamoylamino]propanoic acid.

Molecular Properties

Compound Name2-[2-(2,4-dichlorophenyl)ethylcarbamoylamino]propanoic acid
PubChem CID61183611
Molecular FormulaC12H14Cl2N2O3
Molecular Weight305.16 g/mol
Exact Mass304.04
IUPAC Name2-[2-(2,4-dichlorophenyl)ethylcarbamoylamino]propanoic acid
SMILESCC(NC(=O)NCCc1ccc(Cl)cc1Cl)C(=O)O
InChIInChI=1S/C12H14Cl2N2O3/c1-7(11(17)18)16-12(19)15-5-4-8-2-3-9(13)6-10(8)14/h2-3,6-7H,4-5H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyWUOZIWUDHROEBV-UHFFFAOYSA-N
XLogP2.31
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.16
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[2-(2,4-dichlorophenyl)ethyl]propanamide;hydrochloride
CID 119263877
(2R)-2-amino-N-[2-(2,4-dichlorophenyl)ethyl]propanamide;hydrochloride
CID 119263879
1-[3-(2,4-dichlorophenyl)propyl]-3-(1-hydroxypropan-2-yl)urea
CID 111566614
1-[2-(2,4-dichlorophenyl)ethyl]-3-propylurea
CID 47103763
3-[2-(2,4-dichlorophenyl)ethylcarbamoylamino]-2-methoxypropanoic acid
CID 106109635
2-[2-(2-fluorophenyl)ethylcarbamoylamino]propanoic acid
CID 3657012
2-bromo-N-[2-(2,4-dichlorophenyl)ethyl]-3-methylbutanamide
CID 43095602
1-[2-(2,4-dichlorophenyl)ethyl]-3-(2-phenylethyl)urea
CID 108989118
N-[2-(2,4-dichlorophenyl)ethyl]-3-(ethylamino)-2-methylpropanamide
CID 62853416
2-[[2-[(2,4-dichlorophenyl)methylsulfanyl]acetyl]amino]propanoic acid
CID 119225359
3-[2-(2,4-dichlorophenyl)ethylcarbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 66172630
4-[2-(2,4-dichlorophenyl)ethylamino]-4-oxobutanoic acid
CID 9151806

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,4-dichlorophenyl)ethylcarbamoylamino]propanoic acid?
The IUPAC name of 2-[2-(2,4-dichlorophenyl)ethylcarbamoylamino]propanoic acid (CID 61183611) is 2-[2-(2,4-dichlorophenyl)ethylcarbamoylamino]propanoic acid.
What is the SMILES notation for 2-[2-(2,4-dichlorophenyl)ethylcarbamoylamino]propanoic acid?
The canonical SMILES for 2-[2-(2,4-dichlorophenyl)ethylcarbamoylamino]propanoic acid is CC(NC(=O)NCCc1ccc(Cl)cc1Cl)C(=O)O.
What is the InChIKey of 2-[2-(2,4-dichlorophenyl)ethylcarbamoylamino]propanoic acid?
The InChIKey is WUOZIWUDHROEBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O3/c1-7(11(17)18)16-12(19)15-5-4-8-2-3-9(13)6-10(8)14/h2-3,6-7H,4-5H2,1H3,(H,17,18)(H2,15,16,19).
What are the key properties of 2-[2-(2,4-dichlorophenyl)ethylcarbamoylamino]propanoic acid?
2-[2-(2,4-dichlorophenyl)ethylcarbamoylamino]propanoic acid has a molecular weight of 305.16 g/mol, XLogP of 2.31, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,4-dichlorophenyl)ethylcarbamoylamino]propanoic acid is sourced from PubChem (CID 61183611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).