3-[cyclopropyl-[3-(methanesulfonamido)propylcarbamoyl]amino]propanoic acid

C11H21N3O5S — CID 106340311

IUPAC3-[cyclopropyl-[3-(methanesulfonamido)propylcarbamoyl]amino]propanoic acid
SMILESCS(=O)(=O)NCCCNC(=O)N(CCC(=O)O)C1CC1
InChIInChI=1S/C11H21N3O5S/c1-20(18,19)13-7-2-6-12-11(17)14(9-3-4-9)8-5-10(15)16/h9,13H,2-8H2,1H3,(H,12,17)(H,15,16)
InChIKeyPDOXXYRJWNPXOZ-UHFFFAOYSA-N
MW307.37 g/mol
LogP-0.43
Rot. Bonds9

About 3-[cyclopropyl-[3-(methanesulfonamido)propylcarbamoyl]amino]propanoic acid

3-[cyclopropyl-[3-(methanesulfonamido)propylcarbamoyl]amino]propanoic acid (PubChem CID 106340311) has the molecular formula C11H21N3O5S and a molecular weight of 307.37 g/mol. Its IUPAC name is 3-[cyclopropyl-[3-(methanesulfonamido)propylcarbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl-[3-(methanesulfonamido)propylcarbamoyl]amino]propanoic acid
PubChem CID106340311
Molecular FormulaC11H21N3O5S
Molecular Weight307.37 g/mol
Exact Mass307.12
IUPAC Name3-[cyclopropyl-[3-(methanesulfonamido)propylcarbamoyl]amino]propanoic acid
SMILESCS(=O)(=O)NCCCNC(=O)N(CCC(=O)O)C1CC1
InChIInChI=1S/C11H21N3O5S/c1-20(18,19)13-7-2-6-12-11(17)14(9-3-4-9)8-5-10(15)16/h9,13H,2-8H2,1H3,(H,12,17)(H,15,16)
InChIKeyPDOXXYRJWNPXOZ-UHFFFAOYSA-N
XLogP-0.43
TPSA115.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[cyclopentyl-[3-(methanesulfonamido)propylcarbamoyl]amino]acetic acid
CID 106340334
2-[cyclopropyl-[2-(methanesulfonamido)ethylcarbamoyl]amino]acetic acid
CID 54978578
3-[cyclopropyl(5-methylhexylcarbamoyl)amino]propanoic acid
CID 113287750
2-[cyclopentyl-[2-(methanesulfonamido)ethylcarbamoyl]amino]acetic acid
CID 61201868
4-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]butanoic acid
CID 102865736
3-[cyclopropyl(2,2-dimethylpropylcarbamoyl)amino]propanoic acid
CID 61209232
4-[[cyclopropyl(2-methylpropyl)carbamoyl]amino]butanoic acid
CID 55001169
4-[3-(methanesulfonamido)propylamino]butanoic acid
CID 106336425
3-[cyclopropyl-[[2-(ethylamino)-2-oxoethyl]carbamoyl]amino]propanoic acid
CID 61200800
2-[cyclopropyl-[3-(dimethylamino)propylcarbamoyl]amino]acetic acid
CID 54978981
7-[[cyclobutyl(3-hydroxypropyl)carbamoyl]amino]heptanoic acid
CID 102865277
2-[3-(methanesulfonamido)propylcarbamoyl-(2-methoxyethyl)amino]acetic acid
CID 103995553

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-[3-(methanesulfonamido)propylcarbamoyl]amino]propanoic acid?
The IUPAC name of 3-[cyclopropyl-[3-(methanesulfonamido)propylcarbamoyl]amino]propanoic acid (CID 106340311) is 3-[cyclopropyl-[3-(methanesulfonamido)propylcarbamoyl]amino]propanoic acid.
What is the SMILES notation for 3-[cyclopropyl-[3-(methanesulfonamido)propylcarbamoyl]amino]propanoic acid?
The canonical SMILES for 3-[cyclopropyl-[3-(methanesulfonamido)propylcarbamoyl]amino]propanoic acid is CS(=O)(=O)NCCCNC(=O)N(CCC(=O)O)C1CC1.
What is the InChIKey of 3-[cyclopropyl-[3-(methanesulfonamido)propylcarbamoyl]amino]propanoic acid?
The InChIKey is PDOXXYRJWNPXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O5S/c1-20(18,19)13-7-2-6-12-11(17)14(9-3-4-9)8-5-10(15)16/h9,13H,2-8H2,1H3,(H,12,17)(H,15,16).
What are the key properties of 3-[cyclopropyl-[3-(methanesulfonamido)propylcarbamoyl]amino]propanoic acid?
3-[cyclopropyl-[3-(methanesulfonamido)propylcarbamoyl]amino]propanoic acid has a molecular weight of 307.37 g/mol, XLogP of -0.43, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-[3-(methanesulfonamido)propylcarbamoyl]amino]propanoic acid is sourced from PubChem (CID 106340311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).