3-[(3-carbamoylphenyl)carbamoyl-ethylamino]-2-methylpropanoic acid

C14H19N3O4 — CID 107809460

IUPAC3-[(3-carbamoylphenyl)carbamoyl-ethylamino]-2-methylpropanoic acid
SMILESCCN(CC(C)C(=O)O)C(=O)Nc1cccc(C(N)=O)c1
InChIInChI=1S/C14H19N3O4/c1-3-17(8-9(2)13(19)20)14(21)16-11-6-4-5-10(7-11)12(15)18/h4-7,9H,3,8H2,1-2H3,(H2,15,18)(H,16,21)(H,19,20)
InChIKeyYCPZOAUFWBQWRE-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.36
Rot. Bonds6

About 3-[(3-carbamoylphenyl)carbamoyl-ethylamino]-2-methylpropanoic acid

3-[(3-carbamoylphenyl)carbamoyl-ethylamino]-2-methylpropanoic acid (PubChem CID 107809460) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 3-[(3-carbamoylphenyl)carbamoyl-ethylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[(3-carbamoylphenyl)carbamoyl-ethylamino]-2-methylpropanoic acid
PubChem CID107809460
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name3-[(3-carbamoylphenyl)carbamoyl-ethylamino]-2-methylpropanoic acid
SMILESCCN(CC(C)C(=O)O)C(=O)Nc1cccc(C(N)=O)c1
InChIInChI=1S/C14H19N3O4/c1-3-17(8-9(2)13(19)20)14(21)16-11-6-4-5-10(7-11)12(15)18/h4-7,9H,3,8H2,1-2H3,(H2,15,18)(H,16,21)(H,19,20)
InChIKeyYCPZOAUFWBQWRE-UHFFFAOYSA-N
XLogP1.36
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[ethyl-[(4-fluorophenyl)carbamoyl]amino]-2-methylpropanoic acid
CID 62828090
3-(3-carbamothioylphenyl)-1,1-diethylurea
CID 79162256
3-[(4-bromo-3-chlorophenyl)carbamoyl-ethylamino]-2-methylpropanoic acid
CID 107614607
3-[ethyl-[(4-propylphenyl)carbamoyl]amino]-2-methylpropanoic acid
CID 62851938
3-[(4-chloro-3-methoxyphenyl)carbamoyl-ethylamino]-2-methylpropanoic acid
CID 107622510
3-[ethyl-[(3-fluoro-5-methylphenyl)carbamoyl]amino]-2-methylpropanoic acid
CID 79050237
3-[benzoyl(ethyl)amino]-2-methylpropanoic acid
CID 62827364
3-[(2-cyanophenyl)carbamoyl-ethylamino]-2-methylpropanoic acid
CID 62851934
3-[ethyl-[(2,4,6-trimethylphenyl)carbamoyl]amino]-2-methylpropanoic acid
CID 62853366
2-[3-(diethylcarbamoyl)anilino]propanoic acid
CID 66174088
3-[ethyl-[(1-methylpyrazol-4-yl)carbamoyl]amino]-2-methylpropanoic acid
CID 62852836
3-[[butan-2-yl(ethyl)carbamoyl]amino]benzoic acid
CID 61192789

Frequently Asked Questions

What is the IUPAC name of 3-[(3-carbamoylphenyl)carbamoyl-ethylamino]-2-methylpropanoic acid?
The IUPAC name of 3-[(3-carbamoylphenyl)carbamoyl-ethylamino]-2-methylpropanoic acid (CID 107809460) is 3-[(3-carbamoylphenyl)carbamoyl-ethylamino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[(3-carbamoylphenyl)carbamoyl-ethylamino]-2-methylpropanoic acid?
The canonical SMILES for 3-[(3-carbamoylphenyl)carbamoyl-ethylamino]-2-methylpropanoic acid is CCN(CC(C)C(=O)O)C(=O)Nc1cccc(C(N)=O)c1.
What is the InChIKey of 3-[(3-carbamoylphenyl)carbamoyl-ethylamino]-2-methylpropanoic acid?
The InChIKey is YCPZOAUFWBQWRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-3-17(8-9(2)13(19)20)14(21)16-11-6-4-5-10(7-11)12(15)18/h4-7,9H,3,8H2,1-2H3,(H2,15,18)(H,16,21)(H,19,20).
What are the key properties of 3-[(3-carbamoylphenyl)carbamoyl-ethylamino]-2-methylpropanoic acid?
3-[(3-carbamoylphenyl)carbamoyl-ethylamino]-2-methylpropanoic acid has a molecular weight of 293.32 g/mol, XLogP of 1.36, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-carbamoylphenyl)carbamoyl-ethylamino]-2-methylpropanoic acid is sourced from PubChem (CID 107809460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).