2-[4-(3-methoxy-3-methylbutyl)morpholin-3-yl]acetic acid

C12H23NO4 — CID 103034740

IUPAC2-[4-(3-methoxy-3-methylbutyl)morpholin-3-yl]acetic acid
SMILESCOC(C)(C)CCN1CCOCC1CC(=O)O
InChIInChI=1S/C12H23NO4/c1-12(2,16-3)4-5-13-6-7-17-9-10(13)8-11(14)15/h10H,4-9H2,1-3H3,(H,14,15)
InChIKeyLCCVHRPITIRASZ-UHFFFAOYSA-N
MW245.32 g/mol
LogP0.98
Rot. Bonds6

About 2-[4-(3-methoxy-3-methylbutyl)morpholin-3-yl]acetic acid

2-[4-(3-methoxy-3-methylbutyl)morpholin-3-yl]acetic acid (PubChem CID 103034740) has the molecular formula C12H23NO4 and a molecular weight of 245.32 g/mol. Its IUPAC name is 2-[4-(3-methoxy-3-methylbutyl)morpholin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(3-methoxy-3-methylbutyl)morpholin-3-yl]acetic acid
PubChem CID103034740
Molecular FormulaC12H23NO4
Molecular Weight245.32 g/mol
Exact Mass245.16
IUPAC Name2-[4-(3-methoxy-3-methylbutyl)morpholin-3-yl]acetic acid
SMILESCOC(C)(C)CCN1CCOCC1CC(=O)O
InChIInChI=1S/C12H23NO4/c1-12(2,16-3)4-5-13-6-7-17-9-10(13)8-11(14)15/h10H,4-9H2,1-3H3,(H,14,15)
InChIKeyLCCVHRPITIRASZ-UHFFFAOYSA-N
XLogP0.98
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methoxy-3-methylbutyl)morpholin-3-yl]acetic acid?
The IUPAC name of 2-[4-(3-methoxy-3-methylbutyl)morpholin-3-yl]acetic acid (CID 103034740) is 2-[4-(3-methoxy-3-methylbutyl)morpholin-3-yl]acetic acid.
What is the SMILES notation for 2-[4-(3-methoxy-3-methylbutyl)morpholin-3-yl]acetic acid?
The canonical SMILES for 2-[4-(3-methoxy-3-methylbutyl)morpholin-3-yl]acetic acid is COC(C)(C)CCN1CCOCC1CC(=O)O.
What is the InChIKey of 2-[4-(3-methoxy-3-methylbutyl)morpholin-3-yl]acetic acid?
The InChIKey is LCCVHRPITIRASZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO4/c1-12(2,16-3)4-5-13-6-7-17-9-10(13)8-11(14)15/h10H,4-9H2,1-3H3,(H,14,15).
What are the key properties of 2-[4-(3-methoxy-3-methylbutyl)morpholin-3-yl]acetic acid?
2-[4-(3-methoxy-3-methylbutyl)morpholin-3-yl]acetic acid has a molecular weight of 245.32 g/mol, XLogP of 0.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methoxy-3-methylbutyl)morpholin-3-yl]acetic acid is sourced from PubChem (CID 103034740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).