2-[4-[3-(methanesulfonamido)propylcarbamoyl]morpholin-2-yl]acetic acid

C11H21N3O6S — CID 106340298

IUPAC2-[4-[3-(methanesulfonamido)propylcarbamoyl]morpholin-2-yl]acetic acid
SMILESCS(=O)(=O)NCCCNC(=O)N1CCOC(CC(=O)O)C1
InChIInChI=1S/C11H21N3O6S/c1-21(18,19)13-4-2-3-12-11(17)14-5-6-20-9(8-14)7-10(15)16/h9,13H,2-8H2,1H3,(H,12,17)(H,15,16)
InChIKeyICQNNAYSQYEBRX-UHFFFAOYSA-N
MW323.37 g/mol
LogP-1.19
Rot. Bonds7

About 2-[4-[3-(methanesulfonamido)propylcarbamoyl]morpholin-2-yl]acetic acid

2-[4-[3-(methanesulfonamido)propylcarbamoyl]morpholin-2-yl]acetic acid (PubChem CID 106340298) has the molecular formula C11H21N3O6S and a molecular weight of 323.37 g/mol. Its IUPAC name is 2-[4-[3-(methanesulfonamido)propylcarbamoyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[3-(methanesulfonamido)propylcarbamoyl]morpholin-2-yl]acetic acid
PubChem CID106340298
Molecular FormulaC11H21N3O6S
Molecular Weight323.37 g/mol
Exact Mass323.12
IUPAC Name2-[4-[3-(methanesulfonamido)propylcarbamoyl]morpholin-2-yl]acetic acid
SMILESCS(=O)(=O)NCCCNC(=O)N1CCOC(CC(=O)O)C1
InChIInChI=1S/C11H21N3O6S/c1-21(18,19)13-4-2-3-12-11(17)14-5-6-20-9(8-14)7-10(15)16/h9,13H,2-8H2,1H3,(H,12,17)(H,15,16)
InChIKeyICQNNAYSQYEBRX-UHFFFAOYSA-N
XLogP-1.19
TPSA125.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 5-1.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-[3-(dimethylamino)propylcarbamoyl]morpholin-2-yl]acetic acid
CID 66435216
2-[4-(2-sulfamoylethylcarbamoyl)morpholin-2-yl]acetic acid
CID 66434839
2-[4-(3-methylbutylcarbamoyl)morpholin-2-yl]acetic acid
CID 66435211
2-[4-[[3-(dimethylamino)-3-oxopropyl]carbamoyl]morpholin-2-yl]acetic acid
CID 66435659
2-[4-(2-pyrrolidin-1-ylethylcarbamoyl)morpholin-2-yl]acetic acid
CID 66436055
2-[4-[[2-oxo-2-(propylamino)ethyl]carbamoyl]morpholin-2-yl]acetic acid
CID 66433095
2-[4-(2-prop-2-ynylsulfanylethylcarbamoyl)morpholin-2-yl]acetic acid
CID 114187992
2-[4-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]morpholin-2-yl]acetic acid
CID 106105976
2-[4-[(2-methylcyclopropyl)carbamoyl]morpholin-2-yl]acetic acid
CID 66435660
2-[4-[[1-oxo-1-(propylamino)propan-2-yl]carbamoyl]morpholin-2-yl]acetic acid
CID 66433511
5-[[2-(hydroxymethyl)morpholine-4-carbonyl]amino]-2-methylpentanoic acid
CID 104686844
2-[4-[(4,5-dimethylthiophen-2-yl)methylcarbamoyl]morpholin-2-yl]acetic acid
CID 66434515

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(methanesulfonamido)propylcarbamoyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-[3-(methanesulfonamido)propylcarbamoyl]morpholin-2-yl]acetic acid (CID 106340298) is 2-[4-[3-(methanesulfonamido)propylcarbamoyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-[3-(methanesulfonamido)propylcarbamoyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-[3-(methanesulfonamido)propylcarbamoyl]morpholin-2-yl]acetic acid is CS(=O)(=O)NCCCNC(=O)N1CCOC(CC(=O)O)C1.
What is the InChIKey of 2-[4-[3-(methanesulfonamido)propylcarbamoyl]morpholin-2-yl]acetic acid?
The InChIKey is ICQNNAYSQYEBRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O6S/c1-21(18,19)13-4-2-3-12-11(17)14-5-6-20-9(8-14)7-10(15)16/h9,13H,2-8H2,1H3,(H,12,17)(H,15,16).
What are the key properties of 2-[4-[3-(methanesulfonamido)propylcarbamoyl]morpholin-2-yl]acetic acid?
2-[4-[3-(methanesulfonamido)propylcarbamoyl]morpholin-2-yl]acetic acid has a molecular weight of 323.37 g/mol, XLogP of -1.19, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(methanesulfonamido)propylcarbamoyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 106340298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).