(2R)-2-[(3-sulfamoylphenyl)carbamoylamino]pentanoic acid

C12H17N3O5S — CID 107565988

IUPAC(2R)-2-[(3-sulfamoylphenyl)carbamoylamino]pentanoic acid
SMILESCCC[C@@H](NC(=O)Nc1cccc(S(N)(=O)=O)c1)C(=O)O
InChIInChI=1S/C12H17N3O5S/c1-2-4-10(11(16)17)15-12(18)14-8-5-3-6-9(7-8)21(13,19)20/h3,5-7,10H,2,4H2,1H3,(H,16,17)(H2,13,19,20)(H2,14,15,18)/t10-/m1/s1
InChIKeyRSRVUXKDQYNXQH-SNVBAGLBSA-N
MW315.35 g/mol
LogP0.71
Rot. Bonds6

About (2R)-2-[(3-sulfamoylphenyl)carbamoylamino]pentanoic acid

(2R)-2-[(3-sulfamoylphenyl)carbamoylamino]pentanoic acid (PubChem CID 107565988) has the molecular formula C12H17N3O5S and a molecular weight of 315.35 g/mol. Its IUPAC name is (2R)-2-[(3-sulfamoylphenyl)carbamoylamino]pentanoic acid.

Molecular Properties

Compound Name(2R)-2-[(3-sulfamoylphenyl)carbamoylamino]pentanoic acid
PubChem CID107565988
Molecular FormulaC12H17N3O5S
Molecular Weight315.35 g/mol
Exact Mass315.09
IUPAC Name(2R)-2-[(3-sulfamoylphenyl)carbamoylamino]pentanoic acid
SMILESCCC[C@@H](NC(=O)Nc1cccc(S(N)(=O)=O)c1)C(=O)O
InChIInChI=1S/C12H17N3O5S/c1-2-4-10(11(16)17)15-12(18)14-8-5-3-6-9(7-8)21(13,19)20/h3,5-7,10H,2,4H2,1H3,(H,16,17)(H2,13,19,20)(H2,14,15,18)/t10-/m1/s1
InChIKeyRSRVUXKDQYNXQH-SNVBAGLBSA-N
XLogP0.71
TPSA138.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 50.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-4-hydroxy-2-[(3-sulfamoylphenyl)carbamoylamino]butanoic acid
CID 107825750
(2R)-3-hydroxy-2-[(3-sulfamoylphenyl)carbamoylamino]propanoic acid
CID 80750323
(2S)-2-[(3-acetamidophenyl)carbamoylamino]pentanoic acid
CID 107566022
2-[(3-chlorophenyl)carbamoylamino]pentanoic acid
CID 43631122
2-[(3-bromophenyl)carbamoylamino]pentanoic acid
CID 61191177
(3S)-3-[(3-sulfamoylphenyl)carbamoylamino]butanoic acid
CID 129366210
(3R)-3-[(3-sulfamoylphenyl)carbamoylamino]butanoic acid
CID 129366211
(2S)-2-[(3-methylsulfanylphenyl)carbamoylamino]pentanoic acid
CID 107565890
dimethyl 2-[(3-sulfamoylphenyl)carbamoylamino]butanedioate
CID 166627768
1-[(2R)-1-phenylbutan-2-yl]-3-(3-sulfamoylphenyl)urea
CID 129396881
2-cyclopropyl-2-[(3-sulfamoylphenyl)carbamoylamino]acetic acid
CID 62711551
(2R)-2-[(3-bromo-4-methylphenyl)carbamoylamino]pentanoic acid
CID 107566984

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3-sulfamoylphenyl)carbamoylamino]pentanoic acid?
The IUPAC name of (2R)-2-[(3-sulfamoylphenyl)carbamoylamino]pentanoic acid (CID 107565988) is (2R)-2-[(3-sulfamoylphenyl)carbamoylamino]pentanoic acid.
What is the SMILES notation for (2R)-2-[(3-sulfamoylphenyl)carbamoylamino]pentanoic acid?
The canonical SMILES for (2R)-2-[(3-sulfamoylphenyl)carbamoylamino]pentanoic acid is CCC[C@@H](NC(=O)Nc1cccc(S(N)(=O)=O)c1)C(=O)O.
What is the InChIKey of (2R)-2-[(3-sulfamoylphenyl)carbamoylamino]pentanoic acid?
The InChIKey is RSRVUXKDQYNXQH-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H17N3O5S/c1-2-4-10(11(16)17)15-12(18)14-8-5-3-6-9(7-8)21(13,19)20/h3,5-7,10H,2,4H2,1H3,(H,16,17)(H2,13,19,20)(H2,14,15,18)/t10-/m1/s1.
What are the key properties of (2R)-2-[(3-sulfamoylphenyl)carbamoylamino]pentanoic acid?
(2R)-2-[(3-sulfamoylphenyl)carbamoylamino]pentanoic acid has a molecular weight of 315.35 g/mol, XLogP of 0.71, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3-sulfamoylphenyl)carbamoylamino]pentanoic acid is sourced from PubChem (CID 107565988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).