2-[[2-[3-(methanesulfonamido)phenyl]acetyl]amino]acetic acid

C11H14N2O5S — CID 119350188

IUPAC2-[[2-[3-(methanesulfonamido)phenyl]acetyl]amino]acetic acid
SMILESCS(=O)(=O)Nc1cccc(CC(=O)NCC(=O)O)c1
InChIInChI=1S/C11H14N2O5S/c1-19(17,18)13-9-4-2-3-8(5-9)6-10(14)12-7-11(15)16/h2-5,13H,6-7H2,1H3,(H,12,14)(H,15,16)
InChIKeyHOZJXZBSHDDAHJ-UHFFFAOYSA-N
MW286.31 g/mol
LogP-0.20
Rot. Bonds6

About 2-[[2-[3-(methanesulfonamido)phenyl]acetyl]amino]acetic acid

2-[[2-[3-(methanesulfonamido)phenyl]acetyl]amino]acetic acid (PubChem CID 119350188) has the molecular formula C11H14N2O5S and a molecular weight of 286.31 g/mol. Its IUPAC name is 2-[[2-[3-(methanesulfonamido)phenyl]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[3-(methanesulfonamido)phenyl]acetyl]amino]acetic acid
PubChem CID119350188
Molecular FormulaC11H14N2O5S
Molecular Weight286.31 g/mol
Exact Mass286.06
IUPAC Name2-[[2-[3-(methanesulfonamido)phenyl]acetyl]amino]acetic acid
SMILESCS(=O)(=O)Nc1cccc(CC(=O)NCC(=O)O)c1
InChIInChI=1S/C11H14N2O5S/c1-19(17,18)13-9-4-2-3-8(5-9)6-10(14)12-7-11(15)16/h2-5,13H,6-7H2,1H3,(H,12,14)(H,15,16)
InChIKeyHOZJXZBSHDDAHJ-UHFFFAOYSA-N
XLogP-0.20
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 5-0.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-[3-(methanesulfonamido)phenyl]acetyl]amino]propanoic acid
CID 119348801
(2S)-2-[[2-[3-(methanesulfonamido)phenyl]acetyl]amino]-4-methylpentanoic acid
CID 119361436
N-[3-(aminomethyl)phenyl]methanesulfonamide
CID 10495443
2,6-difluoro-N-[[3-(methanesulfonamido)phenyl]methyl]benzamide
CID 32535953
2-[[2-[[2-(3-methoxyphenyl)acetyl]amino]acetyl]amino]acetic acid
CID 43387533
benzyl 2-[[3-(methanesulfonamido)benzoyl]amino]acetate
CID 30581707
(2R)-2-amino-N-[[3-(methanesulfonamido)phenyl]methyl]propanamide
CID 119277174
5-[3-(methanesulfonamido)anilino]-5-oxopentanoic acid
CID 60940402
2-[3-(tert-butylsulfamoylamino)phenyl]acetic acid
CID 113421766
N-[3-(3-oxopropyl)phenyl]methanesulfonamide
CID 57444373
1-[[3-(methanesulfonamido)phenyl]methyl]-3-[(3-methoxyphenyl)methyl]urea
CID 16608876
2-[[2-(3,4-dimethylphenyl)acetyl]amino]acetic acid
CID 60657051

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[3-(methanesulfonamido)phenyl]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[3-(methanesulfonamido)phenyl]acetyl]amino]acetic acid (CID 119350188) is 2-[[2-[3-(methanesulfonamido)phenyl]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[3-(methanesulfonamido)phenyl]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[3-(methanesulfonamido)phenyl]acetyl]amino]acetic acid is CS(=O)(=O)Nc1cccc(CC(=O)NCC(=O)O)c1.
What is the InChIKey of 2-[[2-[3-(methanesulfonamido)phenyl]acetyl]amino]acetic acid?
The InChIKey is HOZJXZBSHDDAHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O5S/c1-19(17,18)13-9-4-2-3-8(5-9)6-10(14)12-7-11(15)16/h2-5,13H,6-7H2,1H3,(H,12,14)(H,15,16).
What are the key properties of 2-[[2-[3-(methanesulfonamido)phenyl]acetyl]amino]acetic acid?
2-[[2-[3-(methanesulfonamido)phenyl]acetyl]amino]acetic acid has a molecular weight of 286.31 g/mol, XLogP of -0.20, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[3-(methanesulfonamido)phenyl]acetyl]amino]acetic acid is sourced from PubChem (CID 119350188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).