2-[4-[4-(methylamino)-4-oxobutyl]morpholin-2-yl]acetic acid

C11H20N2O4 — CID 66434649

IUPAC2-[4-[4-(methylamino)-4-oxobutyl]morpholin-2-yl]acetic acid
SMILESCNC(=O)CCCN1CCOC(CC(=O)O)C1
InChIInChI=1S/C11H20N2O4/c1-12-10(14)3-2-4-13-5-6-17-9(8-13)7-11(15)16/h9H,2-8H2,1H3,(H,12,14)(H,15,16)
InChIKeyBVPBNLRPGNMGSF-UHFFFAOYSA-N
MW244.29 g/mol
LogP-0.31
Rot. Bonds6

About 2-[4-[4-(methylamino)-4-oxobutyl]morpholin-2-yl]acetic acid

2-[4-[4-(methylamino)-4-oxobutyl]morpholin-2-yl]acetic acid (PubChem CID 66434649) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-[4-[4-(methylamino)-4-oxobutyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[4-(methylamino)-4-oxobutyl]morpholin-2-yl]acetic acid
PubChem CID66434649
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name2-[4-[4-(methylamino)-4-oxobutyl]morpholin-2-yl]acetic acid
SMILESCNC(=O)CCCN1CCOC(CC(=O)O)C1
InChIInChI=1S/C11H20N2O4/c1-12-10(14)3-2-4-13-5-6-17-9(8-13)7-11(15)16/h9H,2-8H2,1H3,(H,12,14)(H,15,16)
InChIKeyBVPBNLRPGNMGSF-UHFFFAOYSA-N
XLogP-0.31
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4-methylpentyl)morpholin-2-yl]acetic acid
CID 83158040
2-[4-(3-methylsulfonylpropyl)morpholin-2-yl]acetic acid
CID 66434056
4-[2-(1-aminoethyl)morpholin-4-yl]-N-methylbutanamide
CID 115315500
2-[4-[2-(2-methoxyethoxy)ethyl]morpholin-2-yl]acetic acid
CID 66434854
2-[4-(2-cyanoethyl)morpholin-2-yl]acetic acid
CID 66435629
2-(4-but-3-ynylmorpholin-2-yl)acetic acid
CID 66434270
N-methyl-3-(2-methylmorpholin-4-yl)propanamide
CID 131041683
2-[2-(aminomethyl)morpholin-4-yl]-N-methylacetamide
CID 61336632
methyl 4-[2-(aminomethyl)morpholin-4-yl]butanoate
CID 114398668
methyl 2-[4-(4-aminobutyl)morpholin-2-yl]acetate
CID 115533916
methyl 2-[4-(5-hydroxypentyl)morpholin-2-yl]acetate
CID 79823228
2-[4-(2-phenylethyl)morpholin-2-yl]acetic acid
CID 66436018

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(methylamino)-4-oxobutyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-[4-(methylamino)-4-oxobutyl]morpholin-2-yl]acetic acid (CID 66434649) is 2-[4-[4-(methylamino)-4-oxobutyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-[4-(methylamino)-4-oxobutyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-[4-(methylamino)-4-oxobutyl]morpholin-2-yl]acetic acid is CNC(=O)CCCN1CCOC(CC(=O)O)C1.
What is the InChIKey of 2-[4-[4-(methylamino)-4-oxobutyl]morpholin-2-yl]acetic acid?
The InChIKey is BVPBNLRPGNMGSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-12-10(14)3-2-4-13-5-6-17-9(8-13)7-11(15)16/h9H,2-8H2,1H3,(H,12,14)(H,15,16).
What are the key properties of 2-[4-[4-(methylamino)-4-oxobutyl]morpholin-2-yl]acetic acid?
2-[4-[4-(methylamino)-4-oxobutyl]morpholin-2-yl]acetic acid has a molecular weight of 244.29 g/mol, XLogP of -0.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(methylamino)-4-oxobutyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 66434649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).