3-[ethyl-[(2,4,6-trimethylphenyl)carbamoyl]amino]propanoic acid

C15H22N2O3 — CID 61183576

IUPAC3-[ethyl-[(2,4,6-trimethylphenyl)carbamoyl]amino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)Nc1c(C)cc(C)cc1C
InChIInChI=1S/C15H22N2O3/c1-5-17(7-6-13(18)19)15(20)16-14-11(3)8-10(2)9-12(14)4/h8-9H,5-7H2,1-4H3,(H,16,20)(H,18,19)
InChIKeyRCZSNQFFXVGHAH-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.94
Rot. Bonds5

About 3-[ethyl-[(2,4,6-trimethylphenyl)carbamoyl]amino]propanoic acid

3-[ethyl-[(2,4,6-trimethylphenyl)carbamoyl]amino]propanoic acid (PubChem CID 61183576) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 3-[ethyl-[(2,4,6-trimethylphenyl)carbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[ethyl-[(2,4,6-trimethylphenyl)carbamoyl]amino]propanoic acid
PubChem CID61183576
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name3-[ethyl-[(2,4,6-trimethylphenyl)carbamoyl]amino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)Nc1c(C)cc(C)cc1C
InChIInChI=1S/C15H22N2O3/c1-5-17(7-6-13(18)19)15(20)16-14-11(3)8-10(2)9-12(14)4/h8-9H,5-7H2,1-4H3,(H,16,20)(H,18,19)
InChIKeyRCZSNQFFXVGHAH-UHFFFAOYSA-N
XLogP2.94
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(4-bromo-2,6-dimethylphenyl)carbamoyl-ethylamino]propanoic acid
CID 61192110
2-[ethyl-[(2,4,6-trimethylphenyl)carbamoyl]amino]acetic acid
CID 61183574
2-[carboxymethyl-[(2,4,6-trimethylphenyl)carbamoyl]amino]acetic acid
CID 63644567
3-[ethyl-[(2,4,6-trimethylphenyl)carbamoyl]amino]-2-methylpropanoic acid
CID 62853366
2-[(4-bromo-2,6-dimethylphenyl)carbamoyl-ethylamino]acetic acid
CID 61192108
3-(N-ethyl-2,4,6-trimethylanilino)propanoic acid
CID 82318767
3-[(5-bromo-2-methylphenyl)carbamoyl-ethylamino]propanoic acid
CID 61205971
N',N'-diethyl-N-(2,4,6-trimethylphenyl)propanediamide
CID 108951084
3-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoyl-ethylamino]propanoic acid
CID 61202435
3-(2-chloro-4,6-dimethylphenyl)-1-ethyl-1-(2-pyrazol-1-ylethyl)urea
CID 118782620
3-[ethyl-[(3,4,5-trifluorophenyl)carbamoyl]amino]propanoic acid
CID 62814269
ethyl 3-[methyl-[(2,4,6-trimethylphenyl)carbamoyl]amino]propanoate
CID 75510496

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[(2,4,6-trimethylphenyl)carbamoyl]amino]propanoic acid?
The IUPAC name of 3-[ethyl-[(2,4,6-trimethylphenyl)carbamoyl]amino]propanoic acid (CID 61183576) is 3-[ethyl-[(2,4,6-trimethylphenyl)carbamoyl]amino]propanoic acid.
What is the SMILES notation for 3-[ethyl-[(2,4,6-trimethylphenyl)carbamoyl]amino]propanoic acid?
The canonical SMILES for 3-[ethyl-[(2,4,6-trimethylphenyl)carbamoyl]amino]propanoic acid is CCN(CCC(=O)O)C(=O)Nc1c(C)cc(C)cc1C.
What is the InChIKey of 3-[ethyl-[(2,4,6-trimethylphenyl)carbamoyl]amino]propanoic acid?
The InChIKey is RCZSNQFFXVGHAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-5-17(7-6-13(18)19)15(20)16-14-11(3)8-10(2)9-12(14)4/h8-9H,5-7H2,1-4H3,(H,16,20)(H,18,19).
What are the key properties of 3-[ethyl-[(2,4,6-trimethylphenyl)carbamoyl]amino]propanoic acid?
3-[ethyl-[(2,4,6-trimethylphenyl)carbamoyl]amino]propanoic acid has a molecular weight of 278.35 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[(2,4,6-trimethylphenyl)carbamoyl]amino]propanoic acid is sourced from PubChem (CID 61183576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).