(2R)-2-[(4-methylphenyl)sulfonylamino]propanoate

C10H12NO4S- — CID 6933874

IUPAC(2R)-2-[(4-methylphenyl)sulfonylamino]propanoate
SMILESCc1ccc(S(=O)(=O)N[C@H](C)C(=O)[O-])cc1
InChIInChI=1S/C10H13NO4S/c1-7-3-5-9(6-4-7)16(14,15)11-8(2)10(12)13/h3-6,8,11H,1-2H3,(H,12,13)/p-1/t8-/m1/s1
InChIKeyLQXKHFZRJYXXFA-MRVPVSSYSA-M
MW242.28 g/mol
LogP-0.59
Rot. Bonds4

About (2R)-2-[(4-methylphenyl)sulfonylamino]propanoate

(2R)-2-[(4-methylphenyl)sulfonylamino]propanoate (PubChem CID 6933874) has the molecular formula C10H12NO4S- and a molecular weight of 242.28 g/mol. Its IUPAC name is (2R)-2-[(4-methylphenyl)sulfonylamino]propanoate.

Molecular Properties

Compound Name(2R)-2-[(4-methylphenyl)sulfonylamino]propanoate
PubChem CID6933874
Molecular FormulaC10H12NO4S-
Molecular Weight242.28 g/mol
Exact Mass242.05
IUPAC Name(2R)-2-[(4-methylphenyl)sulfonylamino]propanoate
SMILESCc1ccc(S(=O)(=O)N[C@H](C)C(=O)[O-])cc1
InChIInChI=1S/C10H13NO4S/c1-7-3-5-9(6-4-7)16(14,15)11-8(2)10(12)13/h3-6,8,11H,1-2H3,(H,12,13)/p-1/t8-/m1/s1
InChIKeyLQXKHFZRJYXXFA-MRVPVSSYSA-M
XLogP-0.59
TPSA86.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 5-0.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(4-methylphenyl)sulfonylamino]propanoic acid;hydrate
CID 131749441
(2S)-2-[(4-methylphenyl)sulfonylamino]-N-[4-[[(2S)-2-[(4-methylphenyl)sulfonylamino]propanoyl]amino]butyl]propanamide
CID 23246042
(2S)-N-tert-butyl-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 40563910
2-[(4-methylphenyl)sulfonylamino]butanoate
CID 4987554
2-[(4-methylphenyl)sulfonylamino]-N-propylpropanamide
CID 5039910
N-(4-acetamidophenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 5125131
2-[(4-methylphenyl)sulfonylamino]-N-phenylpropanamide
CID 5205930
(2R)-2-[(3,4-dichlorophenyl)sulfonylamino]propanoate
CID 2451311
2-[[4-(2-methylphenoxy)phenyl]sulfonylamino]propanoate
CID 4124714
N-(3-hydroxypropyl)-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 4545843
[2-[di(propan-2-yl)amino]-2-oxoethyl] (2S)-2-[(4-methylphenyl)sulfonylamino]propanoate
CID 8843884
2-(methylamino)ethyl (2S)-2-[(4-methylphenyl)sulfonylamino]propanoate
CID 175911375

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-methylphenyl)sulfonylamino]propanoate?
The IUPAC name of (2R)-2-[(4-methylphenyl)sulfonylamino]propanoate (CID 6933874) is (2R)-2-[(4-methylphenyl)sulfonylamino]propanoate.
What is the SMILES notation for (2R)-2-[(4-methylphenyl)sulfonylamino]propanoate?
The canonical SMILES for (2R)-2-[(4-methylphenyl)sulfonylamino]propanoate is Cc1ccc(S(=O)(=O)N[C@H](C)C(=O)[O-])cc1.
What is the InChIKey of (2R)-2-[(4-methylphenyl)sulfonylamino]propanoate?
The InChIKey is LQXKHFZRJYXXFA-MRVPVSSYSA-M. The full InChI is InChI=1S/C10H13NO4S/c1-7-3-5-9(6-4-7)16(14,15)11-8(2)10(12)13/h3-6,8,11H,1-2H3,(H,12,13)/p-1/t8-/m1/s1.
What are the key properties of (2R)-2-[(4-methylphenyl)sulfonylamino]propanoate?
(2R)-2-[(4-methylphenyl)sulfonylamino]propanoate has a molecular weight of 242.28 g/mol, XLogP of -0.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-methylphenyl)sulfonylamino]propanoate is sourced from PubChem (CID 6933874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).