2-[(2-ethyl-2-methyloxan-4-yl)-propylamino]acetic acid

C13H25NO3 — CID 65065073

IUPAC2-[(2-ethyl-2-methyloxan-4-yl)-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C1CCOC(C)(CC)C1
InChIInChI=1S/C13H25NO3/c1-4-7-14(10-12(15)16)11-6-8-17-13(3,5-2)9-11/h11H,4-10H2,1-3H3,(H,15,16)
InChIKeyWRWVSJLNPIFVOF-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.13
Rot. Bonds6

About 2-[(2-ethyl-2-methyloxan-4-yl)-propylamino]acetic acid

2-[(2-ethyl-2-methyloxan-4-yl)-propylamino]acetic acid (PubChem CID 65065073) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-[(2-ethyl-2-methyloxan-4-yl)-propylamino]acetic acid.

Molecular Properties

Compound Name2-[(2-ethyl-2-methyloxan-4-yl)-propylamino]acetic acid
PubChem CID65065073
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Name2-[(2-ethyl-2-methyloxan-4-yl)-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C1CCOC(C)(CC)C1
InChIInChI=1S/C13H25NO3/c1-4-7-14(10-12(15)16)11-6-8-17-13(3,5-2)9-11/h11H,4-10H2,1-3H3,(H,15,16)
InChIKeyWRWVSJLNPIFVOF-UHFFFAOYSA-N
XLogP2.13
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-Propan-2-yloxan-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79266267
2-[(2,2-Dimethyloxan-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79266437
2-[(2-Ethyl-2-methyloxan-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79266719
2-[5-Oxaspiro[3.5]nonan-8-yl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79899088
2-[1-Oxaspiro[5.5]undecan-4-yl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79902480
2-[6-Oxaspiro[4.5]decan-9-yl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79902935
Tert-butyl 2-[2-(2-hydroxyethyl)piperidin-1-yl]acetate
CID 60346232
2-[(2,6-Dimethyloxan-4-yl)-methylamino]acetic acid;ethane
CID 145062068
2-[(2-Ethyl-2-methyloxan-4-yl)amino]acetic acid
CID 64100398
Methyl 2-[(2-ethyl-2-methyloxan-4-yl)amino]propanoate
CID 64100839
2-[(2-Ethyl-2-methyloxan-4-yl)amino]propanoic acid
CID 64101043
Ethyl 2-[(2-ethyl-2-methyloxan-4-yl)amino]propanoate
CID 64101444

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethyl-2-methyloxan-4-yl)-propylamino]acetic acid?
The IUPAC name of 2-[(2-ethyl-2-methyloxan-4-yl)-propylamino]acetic acid (CID 65065073) is 2-[(2-ethyl-2-methyloxan-4-yl)-propylamino]acetic acid.
What is the SMILES notation for 2-[(2-ethyl-2-methyloxan-4-yl)-propylamino]acetic acid?
The canonical SMILES for 2-[(2-ethyl-2-methyloxan-4-yl)-propylamino]acetic acid is CCCN(CC(=O)O)C1CCOC(C)(CC)C1.
What is the InChIKey of 2-[(2-ethyl-2-methyloxan-4-yl)-propylamino]acetic acid?
The InChIKey is WRWVSJLNPIFVOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-4-7-14(10-12(15)16)11-6-8-17-13(3,5-2)9-11/h11H,4-10H2,1-3H3,(H,15,16).
What are the key properties of 2-[(2-ethyl-2-methyloxan-4-yl)-propylamino]acetic acid?
2-[(2-ethyl-2-methyloxan-4-yl)-propylamino]acetic acid has a molecular weight of 243.35 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethyl-2-methyloxan-4-yl)-propylamino]acetic acid is sourced from PubChem (CID 65065073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).