(3R)-3-[(5-amino-2-methoxyphenyl)sulfonylamino]pyrrolidine-1-carboxylic acid

C12H17N3O5S — CID 68799883

IUPAC(3R)-3-[(5-amino-2-methoxyphenyl)sulfonylamino]pyrrolidine-1-carboxylic acid
SMILESCOc1ccc(N)cc1S(=O)(=O)N[C@@H]1CCN(C(=O)O)C1
InChIInChI=1S/C12H17N3O5S/c1-20-10-3-2-8(13)6-11(10)21(18,19)14-9-4-5-15(7-9)12(16)17/h2-3,6,9,14H,4-5,7,13H2,1H3,(H,16,17)/t9-/m1/s1
InChIKeyJJRUAHZRGJKRDJ-SECBINFHSA-N
MW315.35 g/mol
LogP0.31
Rot. Bonds4

About (3R)-3-[(5-amino-2-methoxyphenyl)sulfonylamino]pyrrolidine-1-carboxylic acid

(3R)-3-[(5-amino-2-methoxyphenyl)sulfonylamino]pyrrolidine-1-carboxylic acid (PubChem CID 68799883) has the molecular formula C12H17N3O5S and a molecular weight of 315.35 g/mol. Its IUPAC name is (3R)-3-[(5-amino-2-methoxyphenyl)sulfonylamino]pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(3R)-3-[(5-amino-2-methoxyphenyl)sulfonylamino]pyrrolidine-1-carboxylic acid
PubChem CID68799883
Molecular FormulaC12H17N3O5S
Molecular Weight315.35 g/mol
Exact Mass315.09
IUPAC Name(3R)-3-[(5-amino-2-methoxyphenyl)sulfonylamino]pyrrolidine-1-carboxylic acid
SMILESCOc1ccc(N)cc1S(=O)(=O)N[C@@H]1CCN(C(=O)O)C1
InChIInChI=1S/C12H17N3O5S/c1-20-10-3-2-8(13)6-11(10)21(18,19)14-9-4-5-15(7-9)12(16)17/h2-3,6,9,14H,4-5,7,13H2,1H3,(H,16,17)/t9-/m1/s1
InChIKeyJJRUAHZRGJKRDJ-SECBINFHSA-N
XLogP0.31
TPSA121.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-(4-ethylcyclohexyl)-2-methoxybenzenesulfonamide
CID 61467171
5-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)-2-methoxybenzenesulfonamide
CID 43108428
ethyl 4-[(2,5-dimethoxyphenyl)sulfonylamino]piperidine-1-carboxylate
CID 32944673
3-[[(3R)-1-cyanopyrrolidin-3-yl]sulfamoyl]-4-methoxybenzoic acid
CID 87579481
3-(cyclobutylsulfamoyl)-4-methoxybenzoic acid
CID 55067218
N-(5-amino-2-methylphenyl)-3-(cyclopropylsulfamoyl)-4-methoxybenzamide
CID 120569275
N-cyclopentyl-2-methoxy-5-(piperidine-1-carbonyl)benzenesulfonamide
CID 4060589
5-[4-(1-aminoethyl)piperidine-1-carbonyl]-N-cyclopropyl-2-methoxybenzenesulfonamide;hydrochloride
CID 119519103
N-(1-cyclopropylpiperidin-4-yl)-2,5-dimethoxybenzenesulfonamide
CID 18141546
1-[[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122085287
(3S,4R)-1-(5-amino-2-methoxyphenyl)sulfonylpyrrolidine-3,4-diol
CID 107213240
N-(5-amino-2-methoxyphenyl)sulfonylbenzamide
CID 154261942

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(5-amino-2-methoxyphenyl)sulfonylamino]pyrrolidine-1-carboxylic acid?
The IUPAC name of (3R)-3-[(5-amino-2-methoxyphenyl)sulfonylamino]pyrrolidine-1-carboxylic acid (CID 68799883) is (3R)-3-[(5-amino-2-methoxyphenyl)sulfonylamino]pyrrolidine-1-carboxylic acid.
What is the SMILES notation for (3R)-3-[(5-amino-2-methoxyphenyl)sulfonylamino]pyrrolidine-1-carboxylic acid?
The canonical SMILES for (3R)-3-[(5-amino-2-methoxyphenyl)sulfonylamino]pyrrolidine-1-carboxylic acid is COc1ccc(N)cc1S(=O)(=O)N[C@@H]1CCN(C(=O)O)C1.
What is the InChIKey of (3R)-3-[(5-amino-2-methoxyphenyl)sulfonylamino]pyrrolidine-1-carboxylic acid?
The InChIKey is JJRUAHZRGJKRDJ-SECBINFHSA-N. The full InChI is InChI=1S/C12H17N3O5S/c1-20-10-3-2-8(13)6-11(10)21(18,19)14-9-4-5-15(7-9)12(16)17/h2-3,6,9,14H,4-5,7,13H2,1H3,(H,16,17)/t9-/m1/s1.
What are the key properties of (3R)-3-[(5-amino-2-methoxyphenyl)sulfonylamino]pyrrolidine-1-carboxylic acid?
(3R)-3-[(5-amino-2-methoxyphenyl)sulfonylamino]pyrrolidine-1-carboxylic acid has a molecular weight of 315.35 g/mol, XLogP of 0.31, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(5-amino-2-methoxyphenyl)sulfonylamino]pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 68799883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).