1-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]cyclopentane-1-carboxylic acid

C13H22N2O4 — CID 64596804

IUPAC1-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]cyclopentane-1-carboxylic acid
SMILESCOCC1CCN(C(=O)NC2(C(=O)O)CCCC2)C1
InChIInChI=1S/C13H22N2O4/c1-19-9-10-4-7-15(8-10)12(18)14-13(11(16)17)5-2-3-6-13/h10H,2-9H2,1H3,(H,14,18)(H,16,17)
InChIKeyPYFSWJIURVSPBK-UHFFFAOYSA-N
MW270.33 g/mol
LogP1.06
Rot. Bonds4

About 1-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]cyclopentane-1-carboxylic acid

1-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 64596804) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is 1-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]cyclopentane-1-carboxylic acid
PubChem CID64596804
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name1-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]cyclopentane-1-carboxylic acid
SMILESCOCC1CCN(C(=O)NC2(C(=O)O)CCCC2)C1
InChIInChI=1S/C13H22N2O4/c1-19-9-10-4-7-15(8-10)12(18)14-13(11(16)17)5-2-3-6-13/h10H,2-9H2,1H3,(H,14,18)(H,16,17)
InChIKeyPYFSWJIURVSPBK-UHFFFAOYSA-N
XLogP1.06
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]-4-methylcyclohexane-1-carboxylic acid
CID 64598227
1-[[3-(methoxymethyl)piperidine-1-carbonyl]amino]cyclopropane-1-carboxylic acid
CID 106588000
4-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]oxane-4-carboxylic acid
CID 115293203
1-[(3-methylpyrrolidine-1-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 61225245
1-[[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 115436961
1-[[3-(methylaminomethyl)piperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 61408559
1-[(4-methoxypiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 11608918
1-[(4-aminopiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 61403018
1-[[3-(hydroxymethyl)piperidine-1-carbonyl]amino]cyclobutane-1-carboxylic acid
CID 81162733
1-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]-3-methylcyclohexane-1-carboxylic acid
CID 115965766
2-[1-[[3-(methoxymethyl)piperidine-1-carbonyl]amino]cyclobutyl]acetic acid
CID 106588104
4-[(3-ethylpiperidine-1-carbonyl)amino]oxane-4-carboxylic acid
CID 115292892

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]cyclopentane-1-carboxylic acid (CID 64596804) is 1-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]cyclopentane-1-carboxylic acid is COCC1CCN(C(=O)NC2(C(=O)O)CCCC2)C1.
What is the InChIKey of 1-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is PYFSWJIURVSPBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-19-9-10-4-7-15(8-10)12(18)14-13(11(16)17)5-2-3-6-13/h10H,2-9H2,1H3,(H,14,18)(H,16,17).
What are the key properties of 1-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]cyclopentane-1-carboxylic acid?
1-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 270.33 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 64596804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).