3-[cyclopropyl-(3,4-dimethylpyrrolidine-1-carbonyl)amino]propanoic acid

C13H22N2O3 — CID 79181069

IUPAC3-[cyclopropyl-(3,4-dimethylpyrrolidine-1-carbonyl)amino]propanoic acid
SMILESCC1CN(C(=O)N(CCC(=O)O)C2CC2)CC1C
InChIInChI=1S/C13H22N2O3/c1-9-7-14(8-10(9)2)13(18)15(11-3-4-11)6-5-12(16)17/h9-11H,3-8H2,1-2H3,(H,16,17)
InChIKeyZPOVOTVXQZFZHK-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.63
Rot. Bonds4

About 3-[cyclopropyl-(3,4-dimethylpyrrolidine-1-carbonyl)amino]propanoic acid

3-[cyclopropyl-(3,4-dimethylpyrrolidine-1-carbonyl)amino]propanoic acid (PubChem CID 79181069) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 3-[cyclopropyl-(3,4-dimethylpyrrolidine-1-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl-(3,4-dimethylpyrrolidine-1-carbonyl)amino]propanoic acid
PubChem CID79181069
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name3-[cyclopropyl-(3,4-dimethylpyrrolidine-1-carbonyl)amino]propanoic acid
SMILESCC1CN(C(=O)N(CCC(=O)O)C2CC2)CC1C
InChIInChI=1S/C13H22N2O3/c1-9-7-14(8-10(9)2)13(18)15(11-3-4-11)6-5-12(16)17/h9-11H,3-8H2,1-2H3,(H,16,17)
InChIKeyZPOVOTVXQZFZHK-UHFFFAOYSA-N
XLogP1.63
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[cyclopropyl-[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]amino]propanoic acid
CID 81474450
3-[(3,4-dimethylpyrrolidine-1-carbonyl)-methylamino]propanoic acid
CID 79181416
3-[cyclopropyl-(4-ethyl-3-methylpiperazine-1-carbonyl)amino]propanoic acid
CID 63616193
3-[(3,4-dimethylpyrrolidine-1-carbonyl)-ethylamino]propanoic acid
CID 79181066
3-[(3,4-dimethylpyrrolidine-1-carbonyl)-propan-2-ylamino]propanoic acid
CID 79181857
3-[cyclopropyl-(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]propanoic acid
CID 81115163
3-[cyclopropyl-(4-propan-2-ylpiperazine-1-carbonyl)amino]propanoic acid
CID 61200687
3-[acetyl(cyclopropyl)amino]propanoic acid
CID 60843836
3-[cyclopropyl-(2-ethylmorpholine-4-carbonyl)amino]propanoic acid
CID 61202092
3-[cyclopropyl-(2-methylpiperidine-1-carbonyl)amino]propanoic acid
CID 61188251
3-[8-azaspiro[4.5]decane-8-carbonyl(cyclopropyl)amino]propanoic acid
CID 63161763
3-[cyclopropyl(dimethylcarbamoyl)amino]propanoic acid
CID 61196461

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-(3,4-dimethylpyrrolidine-1-carbonyl)amino]propanoic acid?
The IUPAC name of 3-[cyclopropyl-(3,4-dimethylpyrrolidine-1-carbonyl)amino]propanoic acid (CID 79181069) is 3-[cyclopropyl-(3,4-dimethylpyrrolidine-1-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[cyclopropyl-(3,4-dimethylpyrrolidine-1-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-[cyclopropyl-(3,4-dimethylpyrrolidine-1-carbonyl)amino]propanoic acid is CC1CN(C(=O)N(CCC(=O)O)C2CC2)CC1C.
What is the InChIKey of 3-[cyclopropyl-(3,4-dimethylpyrrolidine-1-carbonyl)amino]propanoic acid?
The InChIKey is ZPOVOTVXQZFZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-9-7-14(8-10(9)2)13(18)15(11-3-4-11)6-5-12(16)17/h9-11H,3-8H2,1-2H3,(H,16,17).
What are the key properties of 3-[cyclopropyl-(3,4-dimethylpyrrolidine-1-carbonyl)amino]propanoic acid?
3-[cyclopropyl-(3,4-dimethylpyrrolidine-1-carbonyl)amino]propanoic acid has a molecular weight of 254.33 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-(3,4-dimethylpyrrolidine-1-carbonyl)amino]propanoic acid is sourced from PubChem (CID 79181069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).