1-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]-4-methylcyclohexane-1-carboxylic acid

C15H26N2O4 — CID 64598227

IUPAC1-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]-4-methylcyclohexane-1-carboxylic acid
SMILESCOCC1CCN(C(=O)NC2(C(=O)O)CCC(C)CC2)C1
InChIInChI=1S/C15H26N2O4/c1-11-3-6-15(7-4-11,13(18)19)16-14(20)17-8-5-12(9-17)10-21-2/h11-12H,3-10H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyHVMNQDXHXUEFKA-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.70
Rot. Bonds4

About 1-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]-4-methylcyclohexane-1-carboxylic acid

1-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]-4-methylcyclohexane-1-carboxylic acid (PubChem CID 64598227) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 1-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]-4-methylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]-4-methylcyclohexane-1-carboxylic acid
PubChem CID64598227
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name1-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]-4-methylcyclohexane-1-carboxylic acid
SMILESCOCC1CCN(C(=O)NC2(C(=O)O)CCC(C)CC2)C1
InChIInChI=1S/C15H26N2O4/c1-11-3-6-15(7-4-11,13(18)19)16-14(20)17-8-5-12(9-17)10-21-2/h11-12H,3-10H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyHVMNQDXHXUEFKA-UHFFFAOYSA-N
XLogP1.70
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 64596804
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-[(4-aminopiperidine-1-carbonyl)amino]-4-methylcyclohexane-1-carboxylic acid
CID 61403065
1-[(3-methylpyrrolidine-1-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 61225245
4-methyl-1-(morpholine-4-carbonylamino)cyclohexane-1-carboxylic acid
CID 61186956
1-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]-3-methylcyclohexane-1-carboxylic acid
CID 115965766
1-[[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 115436961
4-[[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]amino]oxane-4-carboxylic acid
CID 114799059
4-[[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]methyl]oxane-4-carboxylic acid
CID 115440579
[1-(aminomethyl)-4-methylcyclohexyl]-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 115442204
1-[(3,5-dioxopiperazine-1-carbonyl)amino]-4-methylcyclohexane-1-carboxylic acid
CID 66061246

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]-4-methylcyclohexane-1-carboxylic acid?
The IUPAC name of 1-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]-4-methylcyclohexane-1-carboxylic acid (CID 64598227) is 1-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]-4-methylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]-4-methylcyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]-4-methylcyclohexane-1-carboxylic acid is COCC1CCN(C(=O)NC2(C(=O)O)CCC(C)CC2)C1.
What is the InChIKey of 1-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]-4-methylcyclohexane-1-carboxylic acid?
The InChIKey is HVMNQDXHXUEFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-11-3-6-15(7-4-11,13(18)19)16-14(20)17-8-5-12(9-17)10-21-2/h11-12H,3-10H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 1-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]-4-methylcyclohexane-1-carboxylic acid?
1-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]-4-methylcyclohexane-1-carboxylic acid has a molecular weight of 298.38 g/mol, XLogP of 1.70, 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]-4-methylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 64598227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).