3-[[3-(dimethylamino)phenyl]carbamoyl-ethylamino]butanoic acid

C15H23N3O3 — CID 115378513

IUPAC3-[[3-(dimethylamino)phenyl]carbamoyl-ethylamino]butanoic acid
SMILESCCN(C(=O)Nc1cccc(N(C)C)c1)C(C)CC(=O)O
InChIInChI=1S/C15H23N3O3/c1-5-18(11(2)9-14(19)20)15(21)16-12-7-6-8-13(10-12)17(3)4/h6-8,10-11H,5,9H2,1-4H3,(H,16,21)(H,19,20)
InChIKeyJWUHMFWAFLZPQK-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.47
Rot. Bonds6

About 3-[[3-(dimethylamino)phenyl]carbamoyl-ethylamino]butanoic acid

3-[[3-(dimethylamino)phenyl]carbamoyl-ethylamino]butanoic acid (PubChem CID 115378513) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 3-[[3-(dimethylamino)phenyl]carbamoyl-ethylamino]butanoic acid.

Molecular Properties

Compound Name3-[[3-(dimethylamino)phenyl]carbamoyl-ethylamino]butanoic acid
PubChem CID115378513
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name3-[[3-(dimethylamino)phenyl]carbamoyl-ethylamino]butanoic acid
SMILESCCN(C(=O)Nc1cccc(N(C)C)c1)C(C)CC(=O)O
InChIInChI=1S/C15H23N3O3/c1-5-18(11(2)9-14(19)20)15(21)16-12-7-6-8-13(10-12)17(3)4/h6-8,10-11H,5,9H2,1-4H3,(H,16,21)(H,19,20)
InChIKeyJWUHMFWAFLZPQK-UHFFFAOYSA-N
XLogP2.47
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[ethyl-[(3-ethynylphenyl)carbamoyl]amino]butanoic acid
CID 62827496
3-[ethyl-[[3-(methoxymethyl)phenyl]carbamoyl]amino]butanoic acid
CID 62827525
[3-(dimethylamino)phenyl]carbamic acid
CID 91129511
3-[[butan-2-yl(ethyl)carbamoyl]amino]benzoic acid
CID 61192789
2-[3-[[ethyl(1-methoxypropan-2-yl)carbamoyl]amino]phenyl]acetic acid
CID 65345731
2-amino-3-[3-(dimethylamino)anilino]propanoic acid
CID 103260466
2-(butan-2-ylamino)-N-[3-(dimethylamino)phenyl]acetamide
CID 115376908
(2S)-2-amino-N-[3-(dimethylamino)phenyl]butanediamide
CID 110482736
N'-(2,6-diethylphenyl)-N-[3-(dimethylamino)phenyl]oxamide
CID 108511487
N-[3-[[3-(dimethylamino)phenyl]carbamoylamino]phenyl]acetamide
CID 108884172
3-[ethyl(2-phenylpropylcarbamoyl)amino]butanoic acid
CID 104592016
2-[3-(dimethylamino)anilino]pentanoic acid
CID 83041129

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(dimethylamino)phenyl]carbamoyl-ethylamino]butanoic acid?
The IUPAC name of 3-[[3-(dimethylamino)phenyl]carbamoyl-ethylamino]butanoic acid (CID 115378513) is 3-[[3-(dimethylamino)phenyl]carbamoyl-ethylamino]butanoic acid.
What is the SMILES notation for 3-[[3-(dimethylamino)phenyl]carbamoyl-ethylamino]butanoic acid?
The canonical SMILES for 3-[[3-(dimethylamino)phenyl]carbamoyl-ethylamino]butanoic acid is CCN(C(=O)Nc1cccc(N(C)C)c1)C(C)CC(=O)O.
What is the InChIKey of 3-[[3-(dimethylamino)phenyl]carbamoyl-ethylamino]butanoic acid?
The InChIKey is JWUHMFWAFLZPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-5-18(11(2)9-14(19)20)15(21)16-12-7-6-8-13(10-12)17(3)4/h6-8,10-11H,5,9H2,1-4H3,(H,16,21)(H,19,20).
What are the key properties of 3-[[3-(dimethylamino)phenyl]carbamoyl-ethylamino]butanoic acid?
3-[[3-(dimethylamino)phenyl]carbamoyl-ethylamino]butanoic acid has a molecular weight of 293.37 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(dimethylamino)phenyl]carbamoyl-ethylamino]butanoic acid is sourced from PubChem (CID 115378513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).