3-[2-[3-[3-(dimethylamino)pyrrolidin-1-yl]-3-oxopropyl]imidazol-1-yl]propanoic acid

C15H24N4O3 — CID 121452441

IUPAC3-[2-[3-[3-(dimethylamino)pyrrolidin-1-yl]-3-oxopropyl]imidazol-1-yl]propanoic acid
SMILESCN(C)C1CCN(C(=O)CCc2nccn2CCC(=O)O)C1
InChIInChI=1S/C15H24N4O3/c1-17(2)12-5-8-19(11-12)14(20)4-3-13-16-7-10-18(13)9-6-15(21)22/h7,10,12H,3-6,8-9,11H2,1-2H3,(H,21,22)
InChIKeyFIPDQBOWHVFQQT-UHFFFAOYSA-N
MW308.38 g/mol
LogP0.45
Rot. Bonds7

About 3-[2-[3-[3-(dimethylamino)pyrrolidin-1-yl]-3-oxopropyl]imidazol-1-yl]propanoic acid

3-[2-[3-[3-(dimethylamino)pyrrolidin-1-yl]-3-oxopropyl]imidazol-1-yl]propanoic acid (PubChem CID 121452441) has the molecular formula C15H24N4O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is 3-[2-[3-[3-(dimethylamino)pyrrolidin-1-yl]-3-oxopropyl]imidazol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[2-[3-[3-(dimethylamino)pyrrolidin-1-yl]-3-oxopropyl]imidazol-1-yl]propanoic acid
PubChem CID121452441
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC Name3-[2-[3-[3-(dimethylamino)pyrrolidin-1-yl]-3-oxopropyl]imidazol-1-yl]propanoic acid
SMILESCN(C)C1CCN(C(=O)CCc2nccn2CCC(=O)O)C1
InChIInChI=1S/C15H24N4O3/c1-17(2)12-5-8-19(11-12)14(20)4-3-13-16-7-10-18(13)9-6-15(21)22/h7,10,12H,3-6,8-9,11H2,1-2H3,(H,21,22)
InChIKeyFIPDQBOWHVFQQT-UHFFFAOYSA-N
XLogP0.45
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-[3-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-3-oxopropyl]imidazol-1-yl]propanoic acid;hydrochloride
CID 121452438
2-[2-[3-[(3R)-3-(dimethylamino)piperidin-1-yl]-3-oxopropyl]imidazol-1-yl]acetic acid;hydrochloride
CID 121452454
1-[3-(dimethylamino)piperidin-1-yl]-3-[1-(2-methoxyethyl)imidazol-2-yl]propan-1-one
CID 122582722
1-[3-(dimethylamino)piperidin-1-yl]-3-(1-methylimidazol-2-yl)propan-1-one;hydrochloride
CID 134205518
1-[3-(dimethylamino)azetidin-1-yl]-3-[1-(2-ethoxyethyl)imidazol-2-yl]propan-1-one
CID 134220583
1-[3-(dimethylamino)azetidin-1-yl]-3-[1-(2-propan-2-yloxyethyl)imidazol-2-yl]propan-1-one
CID 134220611
1-[4-(dimethylamino)piperidin-1-yl]-3-(1-methylimidazol-2-yl)propan-1-one;sulfuric acid
CID 172727257
2-[2-[3-[4-(diethylamino)piperidin-1-yl]-3-oxopropyl]imidazol-1-yl]acetic acid;hydrochloride
CID 121452447
3-(1-butylimidazol-2-yl)-1-[4-(diethylamino)piperidin-1-yl]propan-1-one
CID 139544025
1-[2-[3-[4-(dimethylamino)piperidin-1-yl]-3-oxopropyl]imidazol-1-yl]-3-methylpentan-2-one
CID 155065962
[2-(dimethylamino)-2-oxoethyl] 2-[2-[3-[4-(dimethylamino)piperidin-1-yl]-3-oxopropyl]imidazol-1-yl]acetate;hydrochloride
CID 121452432
3-[1-(2-aminoethyl)imidazol-2-yl]-1-(4-hydrazinylpiperidin-1-yl)propan-1-one
CID 122448182

Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-[3-(dimethylamino)pyrrolidin-1-yl]-3-oxopropyl]imidazol-1-yl]propanoic acid?
The IUPAC name of 3-[2-[3-[3-(dimethylamino)pyrrolidin-1-yl]-3-oxopropyl]imidazol-1-yl]propanoic acid (CID 121452441) is 3-[2-[3-[3-(dimethylamino)pyrrolidin-1-yl]-3-oxopropyl]imidazol-1-yl]propanoic acid.
What is the SMILES notation for 3-[2-[3-[3-(dimethylamino)pyrrolidin-1-yl]-3-oxopropyl]imidazol-1-yl]propanoic acid?
The canonical SMILES for 3-[2-[3-[3-(dimethylamino)pyrrolidin-1-yl]-3-oxopropyl]imidazol-1-yl]propanoic acid is CN(C)C1CCN(C(=O)CCc2nccn2CCC(=O)O)C1.
What is the InChIKey of 3-[2-[3-[3-(dimethylamino)pyrrolidin-1-yl]-3-oxopropyl]imidazol-1-yl]propanoic acid?
The InChIKey is FIPDQBOWHVFQQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3/c1-17(2)12-5-8-19(11-12)14(20)4-3-13-16-7-10-18(13)9-6-15(21)22/h7,10,12H,3-6,8-9,11H2,1-2H3,(H,21,22).
What are the key properties of 3-[2-[3-[3-(dimethylamino)pyrrolidin-1-yl]-3-oxopropyl]imidazol-1-yl]propanoic acid?
3-[2-[3-[3-(dimethylamino)pyrrolidin-1-yl]-3-oxopropyl]imidazol-1-yl]propanoic acid has a molecular weight of 308.38 g/mol, XLogP of 0.45, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-[3-(dimethylamino)pyrrolidin-1-yl]-3-oxopropyl]imidazol-1-yl]propanoic acid is sourced from PubChem (CID 121452441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).