2-amino-3-[2-(methanesulfonamido)phenyl]propanoic acid

C10H14N2O4S — CID 22395840

IUPAC2-amino-3-[2-(methanesulfonamido)phenyl]propanoic acid
SMILESCS(=O)(=O)Nc1ccccc1CC(N)C(=O)O
InChIInChI=1S/C10H14N2O4S/c1-17(15,16)12-9-5-3-2-4-7(9)6-8(11)10(13)14/h2-5,8,12H,6,11H2,1H3,(H,13,14)
InChIKeyLERSFCAJHLEOSI-UHFFFAOYSA-N
MW258.30 g/mol
LogP0.01
Rot. Bonds5

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

2-amino-3-[2-(methanesulfonamido)phenyl]propanoic acid (PubChem CID 22395840) has the molecular formula C10H14N2O4S and a molecular weight of 258.30 g/mol. Its IUPAC name is 2-amino-3-[2-(methanesulfonamido)phenyl]propanoic acid.

Molecular Properties

Compound Name2-amino-3-[2-(methanesulfonamido)phenyl]propanoic acid
PubChem CID22395840
Molecular FormulaC10H14N2O4S
Molecular Weight258.30 g/mol
Exact Mass258.07
IUPAC Name2-amino-3-[2-(methanesulfonamido)phenyl]propanoic acid
SMILESCS(=O)(=O)Nc1ccccc1CC(N)C(=O)O
InChIInChI=1S/C10H14N2O4S/c1-17(15,16)12-9-5-3-2-4-7(9)6-8(11)10(13)14/h2-5,8,12H,6,11H2,1H3,(H,13,14)
InChIKeyLERSFCAJHLEOSI-UHFFFAOYSA-N
XLogP0.01
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-3-[2-(carbamoylamino)phenyl]propanoic acid
CID 141451014
2-amino-3-(2-methylsulfonylphenyl)propanoic acid
CID 117359904
2-[2-(methanesulfonamido)phenyl]-N-methylacetamide
CID 61061403
[2-(methanesulfonamido)phenyl]methanesulfonamide
CID 170547357
N-[2-(2-hydroxyethyl)phenyl]methanesulfonamide
CID 117306913
N-[1-[[2-(methanesulfonamido)phenyl]methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 55723714
N-[2-(bromomethyl)phenyl]methanesulfonamide
CID 114296091
N-[2-(methanesulfonamido)phenyl]-2-methylpropanamide
CID 47169208
(2R)-2-amino-3-(2-boronophenyl)propanoic acid
CID 131503499
methyl (2S)-3-[2-(methanesulfonamido)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 177279721
(2R)-2-amino-N-[2-(methanesulfonamido)phenyl]propanamide;hydrochloride
CID 119278967
(2S)-2-amino-3-[5-(benzenesulfonamido)-2-methylphenyl]propanoic acid
CID 177279774

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[2-(methanesulfonamido)phenyl]propanoic acid?
The IUPAC name of 2-amino-3-[2-(methanesulfonamido)phenyl]propanoic acid (CID 22395840) is 2-amino-3-[2-(methanesulfonamido)phenyl]propanoic acid.
What is the SMILES notation for 2-amino-3-[2-(methanesulfonamido)phenyl]propanoic acid?
The canonical SMILES for 2-amino-3-[2-(methanesulfonamido)phenyl]propanoic acid is CS(=O)(=O)Nc1ccccc1CC(N)C(=O)O.
What is the InChIKey of 2-amino-3-[2-(methanesulfonamido)phenyl]propanoic acid?
The InChIKey is LERSFCAJHLEOSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4S/c1-17(15,16)12-9-5-3-2-4-7(9)6-8(11)10(13)14/h2-5,8,12H,6,11H2,1H3,(H,13,14).
What are the key properties of 2-amino-3-[2-(methanesulfonamido)phenyl]propanoic acid?
2-amino-3-[2-(methanesulfonamido)phenyl]propanoic acid has a molecular weight of 258.30 g/mol, XLogP of 0.01, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[2-(methanesulfonamido)phenyl]propanoic acid is sourced from PubChem (CID 22395840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).