1-(cyclobutylmethylcarbamoyl)-4-methoxypyrrolidine-2-carboxylic acid

C12H20N2O4 — CID 61197043

IUPAC1-(cyclobutylmethylcarbamoyl)-4-methoxypyrrolidine-2-carboxylic acid
SMILESCOC1CC(C(=O)O)N(C(=O)NCC2CCC2)C1
InChIInChI=1S/C12H20N2O4/c1-18-9-5-10(11(15)16)14(7-9)12(17)13-6-8-3-2-4-8/h8-10H,2-7H2,1H3,(H,13,17)(H,15,16)
InChIKeyKOXFNWOIJJXLRM-UHFFFAOYSA-N
MW256.30 g/mol
LogP0.67
Rot. Bonds4

About 1-(cyclobutylmethylcarbamoyl)-4-methoxypyrrolidine-2-carboxylic acid

1-(cyclobutylmethylcarbamoyl)-4-methoxypyrrolidine-2-carboxylic acid (PubChem CID 61197043) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 1-(cyclobutylmethylcarbamoyl)-4-methoxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(cyclobutylmethylcarbamoyl)-4-methoxypyrrolidine-2-carboxylic acid
PubChem CID61197043
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name1-(cyclobutylmethylcarbamoyl)-4-methoxypyrrolidine-2-carboxylic acid
SMILESCOC1CC(C(=O)O)N(C(=O)NCC2CCC2)C1
InChIInChI=1S/C12H20N2O4/c1-18-9-5-10(11(15)16)14(7-9)12(17)13-6-8-3-2-4-8/h8-10H,2-7H2,1H3,(H,13,17)(H,15,16)
InChIKeyKOXFNWOIJJXLRM-UHFFFAOYSA-N
XLogP0.67
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-1-[(1-methylpyrrolidin-3-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 61206593
4-methoxy-1-(prop-2-ynylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 61192351
1-(3-cyclobutylpropanoyl)-4-methoxypyrrolidine-2-carboxylic acid
CID 120534374
(2S,4S)-1-(cyclopentylmethylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 64713739
1-[2-(carbamoylamino)ethylcarbamoyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 83113219
4-methoxy-1-[(2-methylcyclopentyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 63279461
1-[2-[ethyl(methyl)amino]ethylcarbamoyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 55097642
4-methoxy-1-(piperidin-1-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 83019976
1-[(2-hydroxycyclohexyl)carbamoyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 62359093
1-[3-(methanesulfonamido)propylcarbamoyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 106340335
4-methoxy-1-(3-methylpentan-3-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 114174500
(2S,4R)-1-[(4-ethylcyclohexyl)methylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 63843058

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethylcarbamoyl)-4-methoxypyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(cyclobutylmethylcarbamoyl)-4-methoxypyrrolidine-2-carboxylic acid (CID 61197043) is 1-(cyclobutylmethylcarbamoyl)-4-methoxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(cyclobutylmethylcarbamoyl)-4-methoxypyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(cyclobutylmethylcarbamoyl)-4-methoxypyrrolidine-2-carboxylic acid is COC1CC(C(=O)O)N(C(=O)NCC2CCC2)C1.
What is the InChIKey of 1-(cyclobutylmethylcarbamoyl)-4-methoxypyrrolidine-2-carboxylic acid?
The InChIKey is KOXFNWOIJJXLRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-18-9-5-10(11(15)16)14(7-9)12(17)13-6-8-3-2-4-8/h8-10H,2-7H2,1H3,(H,13,17)(H,15,16).
What are the key properties of 1-(cyclobutylmethylcarbamoyl)-4-methoxypyrrolidine-2-carboxylic acid?
1-(cyclobutylmethylcarbamoyl)-4-methoxypyrrolidine-2-carboxylic acid has a molecular weight of 256.30 g/mol, XLogP of 0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethylcarbamoyl)-4-methoxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 61197043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).