1-(1-amino-3-ethoxy-2,2-dimethylcyclobutanecarbonyl)-4-methylpyrrolidine-3-carboxylic acid

C15H26N2O4 — CID 114829280

IUPAC1-(1-amino-3-ethoxy-2,2-dimethylcyclobutanecarbonyl)-4-methylpyrrolidine-3-carboxylic acid
SMILESCCOC1CC(N)(C(=O)N2CC(C)C(C(=O)O)C2)C1(C)C
InChIInChI=1S/C15H26N2O4/c1-5-21-11-6-15(16,14(11,3)4)13(20)17-7-9(2)10(8-17)12(18)19/h9-11H,5-8,16H2,1-4H3,(H,18,19)
InChIKeySSELLQVWMAXAGN-UHFFFAOYSA-N
MW298.38 g/mol
LogP0.70
Rot. Bonds4

About 1-(1-amino-3-ethoxy-2,2-dimethylcyclobutanecarbonyl)-4-methylpyrrolidine-3-carboxylic acid

1-(1-amino-3-ethoxy-2,2-dimethylcyclobutanecarbonyl)-4-methylpyrrolidine-3-carboxylic acid (PubChem CID 114829280) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 1-(1-amino-3-ethoxy-2,2-dimethylcyclobutanecarbonyl)-4-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(1-amino-3-ethoxy-2,2-dimethylcyclobutanecarbonyl)-4-methylpyrrolidine-3-carboxylic acid
PubChem CID114829280
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name1-(1-amino-3-ethoxy-2,2-dimethylcyclobutanecarbonyl)-4-methylpyrrolidine-3-carboxylic acid
SMILESCCOC1CC(N)(C(=O)N2CC(C)C(C(=O)O)C2)C1(C)C
InChIInChI=1S/C15H26N2O4/c1-5-21-11-6-15(16,14(11,3)4)13(20)17-7-9(2)10(8-17)12(18)19/h9-11H,5-8,16H2,1-4H3,(H,18,19)
InChIKeySSELLQVWMAXAGN-UHFFFAOYSA-N
XLogP0.70
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
CID 114829508
(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(3-methylpiperidin-1-yl)methanone
CID 114827769
(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(3,4-dimethylpiperazin-1-yl)methanone
CID 114829251
trans-(1R,3R)-1-amino-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylic acid
CID 97300458
(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(4-propylpiperazin-1-yl)methanone
CID 114827916
(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone
CID 114829252
(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(4-methoxypiperidin-1-yl)methanone
CID 114828072
(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(3-methoxypiperidin-1-yl)methanone
CID 105055857
1-amino-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide
CID 114827911
(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(4-ethylazepan-1-yl)methanone
CID 114829341
(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 107216933
(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(1,2-oxazolidin-2-yl)methanone
CID 114829856

Frequently Asked Questions

What is the IUPAC name of 1-(1-amino-3-ethoxy-2,2-dimethylcyclobutanecarbonyl)-4-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(1-amino-3-ethoxy-2,2-dimethylcyclobutanecarbonyl)-4-methylpyrrolidine-3-carboxylic acid (CID 114829280) is 1-(1-amino-3-ethoxy-2,2-dimethylcyclobutanecarbonyl)-4-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(1-amino-3-ethoxy-2,2-dimethylcyclobutanecarbonyl)-4-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(1-amino-3-ethoxy-2,2-dimethylcyclobutanecarbonyl)-4-methylpyrrolidine-3-carboxylic acid is CCOC1CC(N)(C(=O)N2CC(C)C(C(=O)O)C2)C1(C)C.
What is the InChIKey of 1-(1-amino-3-ethoxy-2,2-dimethylcyclobutanecarbonyl)-4-methylpyrrolidine-3-carboxylic acid?
The InChIKey is SSELLQVWMAXAGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-5-21-11-6-15(16,14(11,3)4)13(20)17-7-9(2)10(8-17)12(18)19/h9-11H,5-8,16H2,1-4H3,(H,18,19).
What are the key properties of 1-(1-amino-3-ethoxy-2,2-dimethylcyclobutanecarbonyl)-4-methylpyrrolidine-3-carboxylic acid?
1-(1-amino-3-ethoxy-2,2-dimethylcyclobutanecarbonyl)-4-methylpyrrolidine-3-carboxylic acid has a molecular weight of 298.38 g/mol, XLogP of 0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-amino-3-ethoxy-2,2-dimethylcyclobutanecarbonyl)-4-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 114829280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).