4-methoxy-1-(piperidin-1-ylcarbamoyl)pyrrolidine-2-carboxylic acid

C12H21N3O4 — CID 83019976

IUPAC4-methoxy-1-(piperidin-1-ylcarbamoyl)pyrrolidine-2-carboxylic acid
SMILESCOC1CC(C(=O)O)N(C(=O)NN2CCCCC2)C1
InChIInChI=1S/C12H21N3O4/c1-19-9-7-10(11(16)17)15(8-9)12(18)13-14-5-3-2-4-6-14/h9-10H,2-8H2,1H3,(H,13,18)(H,16,17)
InChIKeyLRVXZYTUPCWCLH-UHFFFAOYSA-N
MW271.32 g/mol
LogP0.27
Rot. Bonds3

About 4-methoxy-1-(piperidin-1-ylcarbamoyl)pyrrolidine-2-carboxylic acid

4-methoxy-1-(piperidin-1-ylcarbamoyl)pyrrolidine-2-carboxylic acid (PubChem CID 83019976) has the molecular formula C12H21N3O4 and a molecular weight of 271.32 g/mol. Its IUPAC name is 4-methoxy-1-(piperidin-1-ylcarbamoyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name4-methoxy-1-(piperidin-1-ylcarbamoyl)pyrrolidine-2-carboxylic acid
PubChem CID83019976
Molecular FormulaC12H21N3O4
Molecular Weight271.32 g/mol
Exact Mass271.15
IUPAC Name4-methoxy-1-(piperidin-1-ylcarbamoyl)pyrrolidine-2-carboxylic acid
SMILESCOC1CC(C(=O)O)N(C(=O)NN2CCCCC2)C1
InChIInChI=1S/C12H21N3O4/c1-19-9-7-10(11(16)17)15(8-9)12(18)13-14-5-3-2-4-6-14/h9-10H,2-8H2,1H3,(H,13,18)(H,16,17)
InChIKeyLRVXZYTUPCWCLH-UHFFFAOYSA-N
XLogP0.27
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-1-(piperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 61180946
4-methoxy-1-(prop-2-ynylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 61192351
1-[2-(carbamoylamino)ethylcarbamoyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 83113219
1-(cyclobutylmethylcarbamoyl)-4-methoxypyrrolidine-2-carboxylic acid
CID 61197043
4-methoxy-1-[(1-methylpiperidin-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61197469
1-[(2-hydroxycyclohexyl)carbamoyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 62359093
4-methoxy-1-[(2-methylcyclopentyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 63279461
4-methoxy-1-(3-methylpentan-3-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 114174500
4-methoxy-1-[(1-methylpyrrolidin-3-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 61206593
1-[2-[ethyl(methyl)amino]ethylcarbamoyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 55097642
1-[3-(methanesulfonamido)propylcarbamoyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 106340335
(2R,4S)-4-methoxy-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylic acid
CID 93310397

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-(piperidin-1-ylcarbamoyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 4-methoxy-1-(piperidin-1-ylcarbamoyl)pyrrolidine-2-carboxylic acid (CID 83019976) is 4-methoxy-1-(piperidin-1-ylcarbamoyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 4-methoxy-1-(piperidin-1-ylcarbamoyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 4-methoxy-1-(piperidin-1-ylcarbamoyl)pyrrolidine-2-carboxylic acid is COC1CC(C(=O)O)N(C(=O)NN2CCCCC2)C1.
What is the InChIKey of 4-methoxy-1-(piperidin-1-ylcarbamoyl)pyrrolidine-2-carboxylic acid?
The InChIKey is LRVXZYTUPCWCLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4/c1-19-9-7-10(11(16)17)15(8-9)12(18)13-14-5-3-2-4-6-14/h9-10H,2-8H2,1H3,(H,13,18)(H,16,17).
What are the key properties of 4-methoxy-1-(piperidin-1-ylcarbamoyl)pyrrolidine-2-carboxylic acid?
4-methoxy-1-(piperidin-1-ylcarbamoyl)pyrrolidine-2-carboxylic acid has a molecular weight of 271.32 g/mol, XLogP of 0.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-(piperidin-1-ylcarbamoyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 83019976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).