2-[4-(2,4,4-trimethylcyclopentyl)morpholin-2-yl]acetic acid

C14H25NO3 — CID 106664270

IUPAC2-[4-(2,4,4-trimethylcyclopentyl)morpholin-2-yl]acetic acid
SMILESCC1CC(C)(C)CC1N1CCOC(CC(=O)O)C1
InChIInChI=1S/C14H25NO3/c1-10-7-14(2,3)8-12(10)15-4-5-18-11(9-15)6-13(16)17/h10-12H,4-9H2,1-3H3,(H,16,17)
InChIKeyDJPYFYGLRZFIOI-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.99
Rot. Bonds3

About 2-[4-(2,4,4-trimethylcyclopentyl)morpholin-2-yl]acetic acid

2-[4-(2,4,4-trimethylcyclopentyl)morpholin-2-yl]acetic acid (PubChem CID 106664270) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-[4-(2,4,4-trimethylcyclopentyl)morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2,4,4-trimethylcyclopentyl)morpholin-2-yl]acetic acid
PubChem CID106664270
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name2-[4-(2,4,4-trimethylcyclopentyl)morpholin-2-yl]acetic acid
SMILESCC1CC(C)(C)CC1N1CCOC(CC(=O)O)C1
InChIInChI=1S/C14H25NO3/c1-10-7-14(2,3)8-12(10)15-4-5-18-11(9-15)6-13(16)17/h10-12H,4-9H2,1-3H3,(H,16,17)
InChIKeyDJPYFYGLRZFIOI-UHFFFAOYSA-N
XLogP1.99
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,4,4-trimethylcyclopentyl)morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-(2,4,4-trimethylcyclopentyl)morpholin-2-yl]acetic acid (CID 106664270) is 2-[4-(2,4,4-trimethylcyclopentyl)morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-(2,4,4-trimethylcyclopentyl)morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-(2,4,4-trimethylcyclopentyl)morpholin-2-yl]acetic acid is CC1CC(C)(C)CC1N1CCOC(CC(=O)O)C1.
What is the InChIKey of 2-[4-(2,4,4-trimethylcyclopentyl)morpholin-2-yl]acetic acid?
The InChIKey is DJPYFYGLRZFIOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-10-7-14(2,3)8-12(10)15-4-5-18-11(9-15)6-13(16)17/h10-12H,4-9H2,1-3H3,(H,16,17).
What are the key properties of 2-[4-(2,4,4-trimethylcyclopentyl)morpholin-2-yl]acetic acid?
2-[4-(2,4,4-trimethylcyclopentyl)morpholin-2-yl]acetic acid has a molecular weight of 255.36 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,4,4-trimethylcyclopentyl)morpholin-2-yl]acetic acid is sourced from PubChem (CID 106664270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).