1-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid

C14H25N3O3 — CID 63145708

IUPAC1-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid
SMILESCCN1CCCC1CNC(=O)N1CCC(C)(C(=O)O)C1
InChIInChI=1S/C14H25N3O3/c1-3-16-7-4-5-11(16)9-15-13(20)17-8-6-14(2,10-17)12(18)19/h11H,3-10H2,1-2H3,(H,15,20)(H,18,19)
InChIKeyQGYSWWDXYKAELP-UHFFFAOYSA-N
MW283.37 g/mol
LogP0.98
Rot. Bonds4

About 1-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid

1-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid (PubChem CID 63145708) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is 1-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid
PubChem CID63145708
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name1-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid
SMILESCCN1CCCC1CNC(=O)N1CCC(C)(C(=O)O)C1
InChIInChI=1S/C14H25N3O3/c1-3-16-7-4-5-11(16)9-15-13(20)17-8-6-14(2,10-17)12(18)19/h11H,3-10H2,1-2H3,(H,15,20)(H,18,19)
InChIKeyQGYSWWDXYKAELP-UHFFFAOYSA-N
XLogP0.98
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]piperidine-4-carboxylic acid
CID 43318538
3-methyl-1-[(1-methylcyclopentyl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 63829455
3-methyl-1-(2-pyrrolidin-1-ylethylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 55166161
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methylpyrrolidine-3-carboxamide
CID 63138600
1-[[(1-ethylpyrrolidin-2-yl)methylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 115433973
3-methyl-1-[(1-methylpyrrolidin-3-yl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 63135667
3-methyl-1-(5-oxaspiro[3.5]nonan-8-ylmethylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 122016332
N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide;methane
CID 159182126
3-methyl-1-[(3-methyloxan-4-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122014064
1-(1,4-dioxaspiro[4.4]nonan-3-ylmethylcarbamoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 122008900
N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide;methanethiol
CID 143677911
1-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]piperidine-2-carboxylic acid
CID 61191761

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid (CID 63145708) is 1-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid is CCN1CCCC1CNC(=O)N1CCC(C)(C(=O)O)C1.
What is the InChIKey of 1-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid?
The InChIKey is QGYSWWDXYKAELP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-3-16-7-4-5-11(16)9-15-13(20)17-8-6-14(2,10-17)12(18)19/h11H,3-10H2,1-2H3,(H,15,20)(H,18,19).
What are the key properties of 1-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid?
1-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid has a molecular weight of 283.37 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63145708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).