3-(4-carbamoyl-N-ethyl-2-methylanilino)propanoic acid

C13H18N2O3 — CID 61009879

IUPAC3-(4-carbamoyl-N-ethyl-2-methylanilino)propanoic acid
SMILESCCN(CCC(=O)O)c1ccc(C(N)=O)cc1C
InChIInChI=1S/C13H18N2O3/c1-3-15(7-6-12(16)17)11-5-4-10(13(14)18)8-9(11)2/h4-5,8H,3,6-7H2,1-2H3,(H2,14,18)(H,16,17)
InChIKeyDLEGYFLAEZOZPH-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.39
Rot. Bonds6

About 3-(4-carbamoyl-N-ethyl-2-methylanilino)propanoic acid

3-(4-carbamoyl-N-ethyl-2-methylanilino)propanoic acid (PubChem CID 61009879) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 3-(4-carbamoyl-N-ethyl-2-methylanilino)propanoic acid.

Molecular Properties

Compound Name3-(4-carbamoyl-N-ethyl-2-methylanilino)propanoic acid
PubChem CID61009879
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name3-(4-carbamoyl-N-ethyl-2-methylanilino)propanoic acid
SMILESCCN(CCC(=O)O)c1ccc(C(N)=O)cc1C
InChIInChI=1S/C13H18N2O3/c1-3-15(7-6-12(16)17)11-5-4-10(13(14)18)8-9(11)2/h4-5,8H,3,6-7H2,1-2H3,(H2,14,18)(H,16,17)
InChIKeyDLEGYFLAEZOZPH-UHFFFAOYSA-N
XLogP1.39
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-carbamoyl-N-(carboxymethyl)-2-methylanilino]acetic acid
CID 55244982
4-[ethyl(2-hydroxyethyl)amino]-3-methylbenzoic acid
CID 63212681
1-[4-(diethylamino)-3-methylphenyl]ethanone
CID 82054352
3-(N-ethyl-2,3-dimethylanilino)propanoic acid
CID 82318760
3-(N-ethyl-2,4,6-trimethylanilino)propanoic acid
CID 82318767
2-(2-bromo-4-carbamoyl-N-ethylanilino)acetic acid
CID 82798099
2-(4-carbamothioyl-N-ethyl-2-methylanilino)-N-methylacetamide
CID 54948273
3-(N-[2-(diethylamino)-2-oxoethyl]-2,4-dimethylanilino)propanoic acid
CID 95529084
2-[5-carbamoyl-N-(carboxymethyl)-2-methylanilino]acetic acid
CID 58135370
3-[4-bromo-N-(carboxymethyl)-2-methylanilino]propanoic acid
CID 117013376
3-(N-ethyl-4-methyl-2-nitroanilino)propanoic acid
CID 61011033
3-[(3-carbamoylbenzoyl)-ethylamino]propanoic acid
CID 61006679

Frequently Asked Questions

What is the IUPAC name of 3-(4-carbamoyl-N-ethyl-2-methylanilino)propanoic acid?
The IUPAC name of 3-(4-carbamoyl-N-ethyl-2-methylanilino)propanoic acid (CID 61009879) is 3-(4-carbamoyl-N-ethyl-2-methylanilino)propanoic acid.
What is the SMILES notation for 3-(4-carbamoyl-N-ethyl-2-methylanilino)propanoic acid?
The canonical SMILES for 3-(4-carbamoyl-N-ethyl-2-methylanilino)propanoic acid is CCN(CCC(=O)O)c1ccc(C(N)=O)cc1C.
What is the InChIKey of 3-(4-carbamoyl-N-ethyl-2-methylanilino)propanoic acid?
The InChIKey is DLEGYFLAEZOZPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-3-15(7-6-12(16)17)11-5-4-10(13(14)18)8-9(11)2/h4-5,8H,3,6-7H2,1-2H3,(H2,14,18)(H,16,17).
What are the key properties of 3-(4-carbamoyl-N-ethyl-2-methylanilino)propanoic acid?
3-(4-carbamoyl-N-ethyl-2-methylanilino)propanoic acid has a molecular weight of 250.30 g/mol, XLogP of 1.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-carbamoyl-N-ethyl-2-methylanilino)propanoic acid is sourced from PubChem (CID 61009879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).