2-[4-[2-(3-amino-3-oxopropyl)sulfonylethyl]morpholin-2-yl]acetic acid

C11H20N2O6S — CID 66433496

IUPAC2-[4-[2-(3-amino-3-oxopropyl)sulfonylethyl]morpholin-2-yl]acetic acid
SMILESNC(=O)CCS(=O)(=O)CCN1CCOC(CC(=O)O)C1
InChIInChI=1S/C11H20N2O6S/c12-10(14)1-5-20(17,18)6-3-13-2-4-19-9(8-13)7-11(15)16/h9H,1-8H2,(H2,12,14)(H,15,16)
InChIKeyYHBWXGWULQKZBH-UHFFFAOYSA-N
MW308.36 g/mol
LogP-1.55
Rot. Bonds8

About 2-[4-[2-(3-amino-3-oxopropyl)sulfonylethyl]morpholin-2-yl]acetic acid

2-[4-[2-(3-amino-3-oxopropyl)sulfonylethyl]morpholin-2-yl]acetic acid (PubChem CID 66433496) has the molecular formula C11H20N2O6S and a molecular weight of 308.36 g/mol. Its IUPAC name is 2-[4-[2-(3-amino-3-oxopropyl)sulfonylethyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[2-(3-amino-3-oxopropyl)sulfonylethyl]morpholin-2-yl]acetic acid
PubChem CID66433496
Molecular FormulaC11H20N2O6S
Molecular Weight308.36 g/mol
Exact Mass308.10
IUPAC Name2-[4-[2-(3-amino-3-oxopropyl)sulfonylethyl]morpholin-2-yl]acetic acid
SMILESNC(=O)CCS(=O)(=O)CCN1CCOC(CC(=O)O)C1
InChIInChI=1S/C11H20N2O6S/c12-10(14)1-5-20(17,18)6-3-13-2-4-19-9(8-13)7-11(15)16/h9H,1-8H2,(H2,12,14)(H,15,16)
InChIKeyYHBWXGWULQKZBH-UHFFFAOYSA-N
XLogP-1.55
TPSA127.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 5-1.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-[2-(3-amino-3-oxopropyl)sulfonylethyl]piperidin-3-yl]acetic acid
CID 62690799
2-[4-(3-methylsulfonylpropyl)morpholin-2-yl]acetic acid
CID 66434056
3-[2-(aminomethyl)morpholin-4-yl]propanamide
CID 61336433
3-[2-(3-aminopyrrolidin-1-yl)ethylsulfonyl]propanamide
CID 62068766
2-[4-(2-cyanoethyl)morpholin-2-yl]acetic acid
CID 66435629
2-(4-but-3-ynylmorpholin-2-yl)acetic acid
CID 66434270
2-[4-(4-methylpentyl)morpholin-2-yl]acetic acid
CID 83158040
2-[2-(aminomethyl)morpholin-4-yl]ethanesulfonamide
CID 114398749
2-[4-[4-(methylamino)-4-oxobutyl]morpholin-2-yl]acetic acid
CID 66434649
1-[2-(3-amino-3-oxopropyl)sulfonylethyl]piperidine-4-carboxylic acid
CID 43441535
2-[4-[2-(2-methoxyethoxy)ethyl]morpholin-2-yl]acetic acid
CID 66434854
2-[4-(2-phenylethyl)morpholin-2-yl]acetic acid
CID 66436018

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(3-amino-3-oxopropyl)sulfonylethyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-[2-(3-amino-3-oxopropyl)sulfonylethyl]morpholin-2-yl]acetic acid (CID 66433496) is 2-[4-[2-(3-amino-3-oxopropyl)sulfonylethyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-[2-(3-amino-3-oxopropyl)sulfonylethyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-[2-(3-amino-3-oxopropyl)sulfonylethyl]morpholin-2-yl]acetic acid is NC(=O)CCS(=O)(=O)CCN1CCOC(CC(=O)O)C1.
What is the InChIKey of 2-[4-[2-(3-amino-3-oxopropyl)sulfonylethyl]morpholin-2-yl]acetic acid?
The InChIKey is YHBWXGWULQKZBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O6S/c12-10(14)1-5-20(17,18)6-3-13-2-4-19-9(8-13)7-11(15)16/h9H,1-8H2,(H2,12,14)(H,15,16).
What are the key properties of 2-[4-[2-(3-amino-3-oxopropyl)sulfonylethyl]morpholin-2-yl]acetic acid?
2-[4-[2-(3-amino-3-oxopropyl)sulfonylethyl]morpholin-2-yl]acetic acid has a molecular weight of 308.36 g/mol, XLogP of -1.55, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(3-amino-3-oxopropyl)sulfonylethyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 66433496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).