1-(oxan-3-ylmethylamino)cyclopentane-1-carboxylic acid

C12H21NO3 — CID 82238366

IUPAC1-(oxan-3-ylmethylamino)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(NCC2CCCOC2)CCCC1
InChIInChI=1S/C12H21NO3/c14-11(15)12(5-1-2-6-12)13-8-10-4-3-7-16-9-10/h10,13H,1-9H2,(H,14,15)
InChIKeyLBBDVXCSTZTVMW-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.40
Rot. Bonds4

About 1-(oxan-3-ylmethylamino)cyclopentane-1-carboxylic acid

1-(oxan-3-ylmethylamino)cyclopentane-1-carboxylic acid (PubChem CID 82238366) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is 1-(oxan-3-ylmethylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(oxan-3-ylmethylamino)cyclopentane-1-carboxylic acid
PubChem CID82238366
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name1-(oxan-3-ylmethylamino)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(NCC2CCCOC2)CCCC1
InChIInChI=1S/C12H21NO3/c14-11(15)12(5-1-2-6-12)13-8-10-4-3-7-16-9-10/h10,13H,1-9H2,(H,14,15)
InChIKeyLBBDVXCSTZTVMW-UHFFFAOYSA-N
XLogP1.40
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(oxan-3-ylmethylamino)cyclopropyl]methanol
CID 115909437
1-methyl-N-(oxan-3-ylmethyl)cyclopentan-1-amine
CID 63739507
1-[(3S)-oxan-3-yl]-N-[[(3S)-oxan-3-yl]methyl]methanamine
CID 129371205
1-[(1-methylpiperidin-3-yl)methylamino]cyclopentane-1-carboxylic acid
CID 115000516
3-(cyclopropylmethylamino)oxolane-3-carboxylic acid
CID 63333220
1-ethyl-N-(oxan-3-ylmethyl)cyclobutan-1-amine
CID 115907989
1-(oxolan-2-ylmethylamino)-4-propylcycloheptane-1-carboxylic acid
CID 65088728
1-cyclopentyl-N-(oxan-3-ylmethyl)methanamine
CID 61342622
[1-(oxolan-3-ylmethylamino)cyclohexyl]methanol
CID 62520251
1-(aminomethyl)-N-(oxan-3-ylmethyl)cyclopropane-1-carboxamide
CID 80588032
2-hydroxy-N-(oxan-3-ylmethyl)acetamide
CID 130804735
1-methyl-3-(oxan-3-ylmethyl)urea
CID 115588448

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-3-ylmethylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(oxan-3-ylmethylamino)cyclopentane-1-carboxylic acid (CID 82238366) is 1-(oxan-3-ylmethylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(oxan-3-ylmethylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(oxan-3-ylmethylamino)cyclopentane-1-carboxylic acid is O=C(O)C1(NCC2CCCOC2)CCCC1.
What is the InChIKey of 1-(oxan-3-ylmethylamino)cyclopentane-1-carboxylic acid?
The InChIKey is LBBDVXCSTZTVMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c14-11(15)12(5-1-2-6-12)13-8-10-4-3-7-16-9-10/h10,13H,1-9H2,(H,14,15).
What are the key properties of 1-(oxan-3-ylmethylamino)cyclopentane-1-carboxylic acid?
1-(oxan-3-ylmethylamino)cyclopentane-1-carboxylic acid has a molecular weight of 227.30 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-3-ylmethylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 82238366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).