1-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoyl]-2-methylpyrrolidine-2-carboxylic acid

C13H23N3O4 — CID 103112626

IUPAC1-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoyl]-2-methylpyrrolidine-2-carboxylic acid
SMILESCCN(C)C(=O)C(C)NC(=O)N1CCCC1(C)C(=O)O
InChIInChI=1S/C13H23N3O4/c1-5-15(4)10(17)9(2)14-12(20)16-8-6-7-13(16,3)11(18)19/h9H,5-8H2,1-4H3,(H,14,20)(H,18,19)
InChIKeyKSNVSMBKMMNPJI-UHFFFAOYSA-N
MW285.34 g/mol
LogP0.50
Rot. Bonds4

About 1-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoyl]-2-methylpyrrolidine-2-carboxylic acid

1-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoyl]-2-methylpyrrolidine-2-carboxylic acid (PubChem CID 103112626) has the molecular formula C13H23N3O4 and a molecular weight of 285.34 g/mol. Its IUPAC name is 1-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoyl]-2-methylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoyl]-2-methylpyrrolidine-2-carboxylic acid
PubChem CID103112626
Molecular FormulaC13H23N3O4
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC Name1-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoyl]-2-methylpyrrolidine-2-carboxylic acid
SMILESCCN(C)C(=O)C(C)NC(=O)N1CCCC1(C)C(=O)O
InChIInChI=1S/C13H23N3O4/c1-5-15(4)10(17)9(2)14-12(20)16-8-6-7-13(16,3)11(18)19/h9H,5-8H2,1-4H3,(H,14,20)(H,18,19)
InChIKeyKSNVSMBKMMNPJI-UHFFFAOYSA-N
XLogP0.50
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-(4-methylhexan-2-ylcarbamoyl)piperidine-2-carboxylic acid
CID 104598318
2-methyl-1-(3-methylpentan-2-ylcarbamoyl)piperidine-2-carboxylic acid
CID 104598027
2-methyl-1-(1-methylsulfonylpropan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 64642274
2-methyl-1-(1-methylsulfanylpropan-2-ylcarbamoyl)piperidine-2-carboxylic acid
CID 113472972
1-[ethyl(propan-2-yl)carbamoyl]-2-methylpiperidine-2-carboxylic acid
CID 104597887
1-[2-hydroxypropyl(methyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid
CID 113431043
2-methyl-1-(2,3,3-trimethylbutylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 83144196
2-methyl-1-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]piperidine-2-carboxylic acid
CID 104597937
1-[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]-2-methylpiperidine-2-carboxylic acid
CID 104597906
2-methyl-1-[(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 103994653
1-[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-2-methylpiperidine-2-carboxylic acid
CID 104598019
2-[1-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoyl]piperidin-4-yl]acetic acid
CID 103112547

Frequently Asked Questions

What is the IUPAC name of 1-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoyl]-2-methylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoyl]-2-methylpyrrolidine-2-carboxylic acid (CID 103112626) is 1-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoyl]-2-methylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoyl]-2-methylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoyl]-2-methylpyrrolidine-2-carboxylic acid is CCN(C)C(=O)C(C)NC(=O)N1CCCC1(C)C(=O)O.
What is the InChIKey of 1-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoyl]-2-methylpyrrolidine-2-carboxylic acid?
The InChIKey is KSNVSMBKMMNPJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O4/c1-5-15(4)10(17)9(2)14-12(20)16-8-6-7-13(16,3)11(18)19/h9H,5-8H2,1-4H3,(H,14,20)(H,18,19).
What are the key properties of 1-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoyl]-2-methylpyrrolidine-2-carboxylic acid?
1-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoyl]-2-methylpyrrolidine-2-carboxylic acid has a molecular weight of 285.34 g/mol, XLogP of 0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoyl]-2-methylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 103112626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).