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

C14H27NO3 — CID 65065066

IUPAC2-[(2-ethyl-2-methyloxan-4-yl)-(2-methylpropyl)amino]acetic acid
SMILESCCC1(C)CC(N(CC(=O)O)CC(C)C)CCO1
InChIInChI=1S/C14H27NO3/c1-5-14(4)8-12(6-7-18-14)15(9-11(2)3)10-13(16)17/h11-12H,5-10H2,1-4H3,(H,16,17)
InChIKeyIEGUJUUCRFQCHE-UHFFFAOYSA-N
MW257.37 g/mol
LogP2.38
Rot. Bonds6

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

2-[(2-ethyl-2-methyloxan-4-yl)-(2-methylpropyl)amino]acetic acid (PubChem CID 65065066) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is 2-[(2-ethyl-2-methyloxan-4-yl)-(2-methylpropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-ethyl-2-methyloxan-4-yl)-(2-methylpropyl)amino]acetic acid
PubChem CID65065066
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Name2-[(2-ethyl-2-methyloxan-4-yl)-(2-methylpropyl)amino]acetic acid
SMILESCCC1(C)CC(N(CC(=O)O)CC(C)C)CCO1
InChIInChI=1S/C14H27NO3/c1-5-14(4)8-12(6-7-18-14)15(9-11(2)3)10-13(16)17/h11-12H,5-10H2,1-4H3,(H,16,17)
InChIKeyIEGUJUUCRFQCHE-UHFFFAOYSA-N
XLogP2.38
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 52.38
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-(Acetyloxymethyl)-4-ethylpiperidin-1-yl]acetic acid
CID 140933455
(5S)-4-[11-[(2-methylpropan-2-yl)oxy]undecyl]-5-(2-methylpropyl)morpholin-2-one
CID 142663774
2-[(2-Ethyl-2-methyloxan-4-yl)amino]acetic acid
CID 64100398
2-[(2-Ethyl-2-methyloxan-4-yl)amino]propanoic acid
CID 64101043
2-[(2-Ethyl-2-methyloxan-4-yl)amino]-3-methylbutanoic acid
CID 64102256

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethyl-2-methyloxan-4-yl)-(2-methylpropyl)amino]acetic acid?
The IUPAC name of 2-[(2-ethyl-2-methyloxan-4-yl)-(2-methylpropyl)amino]acetic acid (CID 65065066) is 2-[(2-ethyl-2-methyloxan-4-yl)-(2-methylpropyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-ethyl-2-methyloxan-4-yl)-(2-methylpropyl)amino]acetic acid?
The canonical SMILES for 2-[(2-ethyl-2-methyloxan-4-yl)-(2-methylpropyl)amino]acetic acid is CCC1(C)CC(N(CC(=O)O)CC(C)C)CCO1.
What is the InChIKey of 2-[(2-ethyl-2-methyloxan-4-yl)-(2-methylpropyl)amino]acetic acid?
The InChIKey is IEGUJUUCRFQCHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-5-14(4)8-12(6-7-18-14)15(9-11(2)3)10-13(16)17/h11-12H,5-10H2,1-4H3,(H,16,17).
What are the key properties of 2-[(2-ethyl-2-methyloxan-4-yl)-(2-methylpropyl)amino]acetic acid?
2-[(2-ethyl-2-methyloxan-4-yl)-(2-methylpropyl)amino]acetic acid has a molecular weight of 257.37 g/mol, XLogP of 2.38, 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)-(2-methylpropyl)amino]acetic acid is sourced from PubChem (CID 65065066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).