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

C11H20N2O3 — CID 79181416

IUPAC3-[(3,4-dimethylpyrrolidine-1-carbonyl)-methylamino]propanoic acid
SMILESCC1CN(C(=O)N(C)CCC(=O)O)CC1C
InChIInChI=1S/C11H20N2O3/c1-8-6-13(7-9(8)2)11(16)12(3)5-4-10(14)15/h8-9H,4-7H2,1-3H3,(H,14,15)
InChIKeyRAAATZPAPPLECP-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.10
Rot. Bonds3

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

3-[(3,4-dimethylpyrrolidine-1-carbonyl)-methylamino]propanoic acid (PubChem CID 79181416) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 3-[(3,4-dimethylpyrrolidine-1-carbonyl)-methylamino]propanoic acid.

Molecular Properties

Compound Name3-[(3,4-dimethylpyrrolidine-1-carbonyl)-methylamino]propanoic acid
PubChem CID79181416
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name3-[(3,4-dimethylpyrrolidine-1-carbonyl)-methylamino]propanoic acid
SMILESCC1CN(C(=O)N(C)CCC(=O)O)CC1C
InChIInChI=1S/C11H20N2O3/c1-8-6-13(7-9(8)2)11(16)12(3)5-4-10(14)15/h8-9H,4-7H2,1-3H3,(H,14,15)
InChIKeyRAAATZPAPPLECP-UHFFFAOYSA-N
XLogP1.10
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[cyclopropyl-(3,4-dimethylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 79181069
3-[(3,4-dimethylpyrrolidine-1-carbonyl)-ethylamino]propanoic acid
CID 79181066
3-[(3,4-dimethylpyrrolidine-1-carbonyl)-propan-2-ylamino]propanoic acid
CID 79181857
1-[2-hydroxyethyl(methyl)carbamoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 63719728
3-[cyclopropyl-[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]amino]propanoic acid
CID 81474450
2-[1-[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]azetidin-3-yl]acetic acid
CID 106917190
(3S,4S)-4-methyl-1-[methyl(3-methylbutyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 114085888
3-[(4-methoxypiperidine-1-carbonyl)-methylamino]propanoic acid
CID 61199548
3-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]-methylamino]propanoic acid
CID 106836785
3-[methyl-(3-piperidin-1-ylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 63548492
1-[2-hydroxypropyl(methyl)carbamoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 63721507
2-[1-[(3-methoxy-3-oxopropyl)-methylcarbamoyl]azetidin-3-yl]propanoic acid
CID 116683137

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dimethylpyrrolidine-1-carbonyl)-methylamino]propanoic acid?
The IUPAC name of 3-[(3,4-dimethylpyrrolidine-1-carbonyl)-methylamino]propanoic acid (CID 79181416) is 3-[(3,4-dimethylpyrrolidine-1-carbonyl)-methylamino]propanoic acid.
What is the SMILES notation for 3-[(3,4-dimethylpyrrolidine-1-carbonyl)-methylamino]propanoic acid?
The canonical SMILES for 3-[(3,4-dimethylpyrrolidine-1-carbonyl)-methylamino]propanoic acid is CC1CN(C(=O)N(C)CCC(=O)O)CC1C.
What is the InChIKey of 3-[(3,4-dimethylpyrrolidine-1-carbonyl)-methylamino]propanoic acid?
The InChIKey is RAAATZPAPPLECP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-8-6-13(7-9(8)2)11(16)12(3)5-4-10(14)15/h8-9H,4-7H2,1-3H3,(H,14,15).
What are the key properties of 3-[(3,4-dimethylpyrrolidine-1-carbonyl)-methylamino]propanoic acid?
3-[(3,4-dimethylpyrrolidine-1-carbonyl)-methylamino]propanoic acid has a molecular weight of 228.29 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dimethylpyrrolidine-1-carbonyl)-methylamino]propanoic acid is sourced from PubChem (CID 79181416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).