3-[3-[4-(dimethylamino)phenyl]propanoylamino]propanoic acid

C14H20N2O3 — CID 43354679

IUPAC3-[3-[4-(dimethylamino)phenyl]propanoylamino]propanoic acid
SMILESCN(C)c1ccc(CCC(=O)NCCC(=O)O)cc1
InChIInChI=1S/C14H20N2O3/c1-16(2)12-6-3-11(4-7-12)5-8-13(17)15-10-9-14(18)19/h3-4,6-7H,5,8-10H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyMMOSUFORJMMGBZ-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.28
Rot. Bonds7

About 3-[3-[4-(dimethylamino)phenyl]propanoylamino]propanoic acid

3-[3-[4-(dimethylamino)phenyl]propanoylamino]propanoic acid (PubChem CID 43354679) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 3-[3-[4-(dimethylamino)phenyl]propanoylamino]propanoic acid.

Molecular Properties

Compound Name3-[3-[4-(dimethylamino)phenyl]propanoylamino]propanoic acid
PubChem CID43354679
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name3-[3-[4-(dimethylamino)phenyl]propanoylamino]propanoic acid
SMILESCN(C)c1ccc(CCC(=O)NCCC(=O)O)cc1
InChIInChI=1S/C14H20N2O3/c1-16(2)12-6-3-11(4-7-12)5-8-13(17)15-10-9-14(18)19/h3-4,6-7H,5,8-10H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyMMOSUFORJMMGBZ-UHFFFAOYSA-N
XLogP1.28
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[2-[4-(dimethylamino)phenyl]ethyl]-3-phenylpropanamide
CID 16889411
3-[4-(dimethylamino)phenyl]-N-[3-(dimethylamino)propyl]propanamide
CID 110464585
N-[2-[4-(dimethylamino)phenyl]ethyl]-3-(4-methoxyphenyl)propanamide
CID 16889384
3-[4-(dimethylamino)phenyl]-N-(3-methoxypropyl)propanamide
CID 110464572
3-[3-(4-aminophenyl)propanoylamino]propanoic acid
CID 113290550
3-[4-(dimethylamino)phenyl]-N-(3-formamidopropyl)propanamide
CID 110464584
N-(2-amino-2-oxoethyl)-3-[4-(dimethylamino)phenyl]propanamide
CID 60717379
4-[[4-(dimethylamino)phenyl]methylamino]-4-oxobutanoic acid
CID 54867572
6-[[2-[4-(dimethylamino)phenyl]acetyl]amino]hexanoic acid
CID 57495425
N-(2-bromoprop-2-enyl)-3-[4-(dimethylamino)phenyl]propanamide
CID 113227520
N-[2-[4-(dimethylamino)-N-methylsulfonylanilino]ethyl]-3-phenylpropanamide
CID 113071298
3-[4-(dimethylamino)phenyl]-N-propan-2-ylpropanamide
CID 60667878

Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-(dimethylamino)phenyl]propanoylamino]propanoic acid?
The IUPAC name of 3-[3-[4-(dimethylamino)phenyl]propanoylamino]propanoic acid (CID 43354679) is 3-[3-[4-(dimethylamino)phenyl]propanoylamino]propanoic acid.
What is the SMILES notation for 3-[3-[4-(dimethylamino)phenyl]propanoylamino]propanoic acid?
The canonical SMILES for 3-[3-[4-(dimethylamino)phenyl]propanoylamino]propanoic acid is CN(C)c1ccc(CCC(=O)NCCC(=O)O)cc1.
What is the InChIKey of 3-[3-[4-(dimethylamino)phenyl]propanoylamino]propanoic acid?
The InChIKey is MMOSUFORJMMGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-16(2)12-6-3-11(4-7-12)5-8-13(17)15-10-9-14(18)19/h3-4,6-7H,5,8-10H2,1-2H3,(H,15,17)(H,18,19).
What are the key properties of 3-[3-[4-(dimethylamino)phenyl]propanoylamino]propanoic acid?
3-[3-[4-(dimethylamino)phenyl]propanoylamino]propanoic acid has a molecular weight of 264.32 g/mol, XLogP of 1.28, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-(dimethylamino)phenyl]propanoylamino]propanoic acid is sourced from PubChem (CID 43354679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).