2-[1-[[(3-methoxypyrrolidine-1-carbonyl)amino]methyl]cyclohexyl]acetic acid

C15H26N2O4 — CID 103536134

IUPAC2-[1-[[(3-methoxypyrrolidine-1-carbonyl)amino]methyl]cyclohexyl]acetic acid
SMILESCOC1CCN(C(=O)NCC2(CC(=O)O)CCCCC2)C1
InChIInChI=1S/C15H26N2O4/c1-21-12-5-8-17(10-12)14(20)16-11-15(9-13(18)19)6-3-2-4-7-15/h12H,2-11H2,1H3,(H,16,20)(H,18,19)
InChIKeyVVBJDVUNSLEZIA-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.84
Rot. Bonds5

About 2-[1-[[(3-methoxypyrrolidine-1-carbonyl)amino]methyl]cyclohexyl]acetic acid

2-[1-[[(3-methoxypyrrolidine-1-carbonyl)amino]methyl]cyclohexyl]acetic acid (PubChem CID 103536134) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 2-[1-[[(3-methoxypyrrolidine-1-carbonyl)amino]methyl]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[(3-methoxypyrrolidine-1-carbonyl)amino]methyl]cyclohexyl]acetic acid
PubChem CID103536134
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name2-[1-[[(3-methoxypyrrolidine-1-carbonyl)amino]methyl]cyclohexyl]acetic acid
SMILESCOC1CCN(C(=O)NCC2(CC(=O)O)CCCCC2)C1
InChIInChI=1S/C15H26N2O4/c1-21-12-5-8-17(10-12)14(20)16-11-15(9-13(18)19)6-3-2-4-7-15/h12H,2-11H2,1H3,(H,16,20)(H,18,19)
InChIKeyVVBJDVUNSLEZIA-UHFFFAOYSA-N
XLogP1.84
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[(3-methoxypyrrolidine-1-carbonyl)amino]methyl]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[[(3-methoxypyrrolidine-1-carbonyl)amino]methyl]cyclohexyl]acetic acid (CID 103536134) is 2-[1-[[(3-methoxypyrrolidine-1-carbonyl)amino]methyl]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[[(3-methoxypyrrolidine-1-carbonyl)amino]methyl]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[[(3-methoxypyrrolidine-1-carbonyl)amino]methyl]cyclohexyl]acetic acid is COC1CCN(C(=O)NCC2(CC(=O)O)CCCCC2)C1.
What is the InChIKey of 2-[1-[[(3-methoxypyrrolidine-1-carbonyl)amino]methyl]cyclohexyl]acetic acid?
The InChIKey is VVBJDVUNSLEZIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-21-12-5-8-17(10-12)14(20)16-11-15(9-13(18)19)6-3-2-4-7-15/h12H,2-11H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 2-[1-[[(3-methoxypyrrolidine-1-carbonyl)amino]methyl]cyclohexyl]acetic acid?
2-[1-[[(3-methoxypyrrolidine-1-carbonyl)amino]methyl]cyclohexyl]acetic acid has a molecular weight of 298.38 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[(3-methoxypyrrolidine-1-carbonyl)amino]methyl]cyclohexyl]acetic acid is sourced from PubChem (CID 103536134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).