2-[methyl(oxan-4-yl)amino]cyclopentane-1-carboxylic acid

C12H21NO3 — CID 63068802

IUPAC2-[methyl(oxan-4-yl)amino]cyclopentane-1-carboxylic acid
SMILESCN(C1CCOCC1)C1CCCC1C(=O)O
InChIInChI=1S/C12H21NO3/c1-13(9-5-7-16-8-6-9)11-4-2-3-10(11)12(14)15/h9-11H,2-8H2,1H3,(H,14,15)
InChIKeySCMDVPKHHCLTFY-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.35
Rot. Bonds3

About 2-[methyl(oxan-4-yl)amino]cyclopentane-1-carboxylic acid

2-[methyl(oxan-4-yl)amino]cyclopentane-1-carboxylic acid (PubChem CID 63068802) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is 2-[methyl(oxan-4-yl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[methyl(oxan-4-yl)amino]cyclopentane-1-carboxylic acid
PubChem CID63068802
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name2-[methyl(oxan-4-yl)amino]cyclopentane-1-carboxylic acid
SMILESCN(C1CCOCC1)C1CCCC1C(=O)O
InChIInChI=1S/C12H21NO3/c1-13(9-5-7-16-8-6-9)11-4-2-3-10(11)12(14)15/h9-11H,2-8H2,1H3,(H,14,15)
InChIKeySCMDVPKHHCLTFY-UHFFFAOYSA-N
XLogP1.35
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(oxan-4-yl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[methyl(oxan-4-yl)amino]cyclopentane-1-carboxylic acid (CID 63068802) is 2-[methyl(oxan-4-yl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[methyl(oxan-4-yl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[methyl(oxan-4-yl)amino]cyclopentane-1-carboxylic acid is CN(C1CCOCC1)C1CCCC1C(=O)O.
What is the InChIKey of 2-[methyl(oxan-4-yl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is SCMDVPKHHCLTFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-13(9-5-7-16-8-6-9)11-4-2-3-10(11)12(14)15/h9-11H,2-8H2,1H3,(H,14,15).
What are the key properties of 2-[methyl(oxan-4-yl)amino]cyclopentane-1-carboxylic acid?
2-[methyl(oxan-4-yl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 227.30 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(oxan-4-yl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 63068802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).