3-[2-[1-(dimethylamino)propan-2-ylcarbamoylamino]phenyl]propanoic acid

C15H23N3O3 — CID 107274126

IUPAC3-[2-[1-(dimethylamino)propan-2-ylcarbamoylamino]phenyl]propanoic acid
SMILESCC(CN(C)C)NC(=O)Nc1ccccc1CCC(=O)O
InChIInChI=1S/C15H23N3O3/c1-11(10-18(2)3)16-15(21)17-13-7-5-4-6-12(13)8-9-14(19)20/h4-7,11H,8-10H2,1-3H3,(H,19,20)(H2,16,17,21)
InChIKeyYUAKRRSJAXVMNJ-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.78
Rot. Bonds7

About 3-[2-[1-(dimethylamino)propan-2-ylcarbamoylamino]phenyl]propanoic acid

3-[2-[1-(dimethylamino)propan-2-ylcarbamoylamino]phenyl]propanoic acid (PubChem CID 107274126) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 3-[2-[1-(dimethylamino)propan-2-ylcarbamoylamino]phenyl]propanoic acid.

Molecular Properties

Compound Name3-[2-[1-(dimethylamino)propan-2-ylcarbamoylamino]phenyl]propanoic acid
PubChem CID107274126
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name3-[2-[1-(dimethylamino)propan-2-ylcarbamoylamino]phenyl]propanoic acid
SMILESCC(CN(C)C)NC(=O)Nc1ccccc1CCC(=O)O
InChIInChI=1S/C15H23N3O3/c1-11(10-18(2)3)16-15(21)17-13-7-5-4-6-12(13)8-9-14(19)20/h4-7,11H,8-10H2,1-3H3,(H,19,20)(H2,16,17,21)
InChIKeyYUAKRRSJAXVMNJ-UHFFFAOYSA-N
XLogP1.78
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-[[methyl(2-methylpropyl)carbamoyl]amino]phenyl]propanoic acid
CID 107273983
2-[1-(dimethylamino)propan-2-ylcarbamoylamino]-6-fluorobenzoic acid
CID 82939627
3-[2-[[ethyl(2-methylpropyl)carbamoyl]amino]phenyl]propanoic acid
CID 107273985
3-[[2-(dimethylamino)phenyl]carbamoylamino]butanoic acid
CID 106760433
3-[2-[[3-(ethylamino)-2-methylpropanoyl]amino]phenyl]propanoic acid
CID 107273577
5-[[2-(methoxymethyl)phenyl]carbamoylamino]hexanoic acid
CID 82847223
3-[2-[[1-cyanopropan-2-yl(methyl)carbamoyl]amino]phenyl]propanoic acid
CID 107274078
3-[2-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]phenyl]propanoic acid
CID 107273592
N,N-dimethyl-3-[2-[[(2S)-1-pyridin-3-ylpropan-2-yl]carbamoylamino]phenyl]propanamide
CID 125157678
5-[(2-aminophenyl)carbamoylamino]hexanoic acid
CID 82848077
5-chloro-2-[1-(dimethylamino)propan-2-ylcarbamoylamino]benzoic acid
CID 82938792
2-[1-(dimethylamino)propan-2-ylcarbamoylamino]-5-fluorobenzoic acid
CID 82937403

Frequently Asked Questions

What is the IUPAC name of 3-[2-[1-(dimethylamino)propan-2-ylcarbamoylamino]phenyl]propanoic acid?
The IUPAC name of 3-[2-[1-(dimethylamino)propan-2-ylcarbamoylamino]phenyl]propanoic acid (CID 107274126) is 3-[2-[1-(dimethylamino)propan-2-ylcarbamoylamino]phenyl]propanoic acid.
What is the SMILES notation for 3-[2-[1-(dimethylamino)propan-2-ylcarbamoylamino]phenyl]propanoic acid?
The canonical SMILES for 3-[2-[1-(dimethylamino)propan-2-ylcarbamoylamino]phenyl]propanoic acid is CC(CN(C)C)NC(=O)Nc1ccccc1CCC(=O)O.
What is the InChIKey of 3-[2-[1-(dimethylamino)propan-2-ylcarbamoylamino]phenyl]propanoic acid?
The InChIKey is YUAKRRSJAXVMNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-11(10-18(2)3)16-15(21)17-13-7-5-4-6-12(13)8-9-14(19)20/h4-7,11H,8-10H2,1-3H3,(H,19,20)(H2,16,17,21).
What are the key properties of 3-[2-[1-(dimethylamino)propan-2-ylcarbamoylamino]phenyl]propanoic acid?
3-[2-[1-(dimethylamino)propan-2-ylcarbamoylamino]phenyl]propanoic acid has a molecular weight of 293.37 g/mol, XLogP of 1.78, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[1-(dimethylamino)propan-2-ylcarbamoylamino]phenyl]propanoic acid is sourced from PubChem (CID 107274126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).