2-[cyclopentyl-[3-(methanesulfonamido)propylcarbamoyl]amino]acetic acid

C12H23N3O5S — CID 106340334

IUPAC2-[cyclopentyl-[3-(methanesulfonamido)propylcarbamoyl]amino]acetic acid
SMILESCS(=O)(=O)NCCCNC(=O)N(CC(=O)O)C1CCCC1
InChIInChI=1S/C12H23N3O5S/c1-21(19,20)14-8-4-7-13-12(18)15(9-11(16)17)10-5-2-3-6-10/h10,14H,2-9H2,1H3,(H,13,18)(H,16,17)
InChIKeyAOWXDWNRLSXICG-UHFFFAOYSA-N
MW321.40 g/mol
LogP-0.04
Rot. Bonds8

About 2-[cyclopentyl-[3-(methanesulfonamido)propylcarbamoyl]amino]acetic acid

2-[cyclopentyl-[3-(methanesulfonamido)propylcarbamoyl]amino]acetic acid (PubChem CID 106340334) has the molecular formula C12H23N3O5S and a molecular weight of 321.40 g/mol. Its IUPAC name is 2-[cyclopentyl-[3-(methanesulfonamido)propylcarbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopentyl-[3-(methanesulfonamido)propylcarbamoyl]amino]acetic acid
PubChem CID106340334
Molecular FormulaC12H23N3O5S
Molecular Weight321.40 g/mol
Exact Mass321.14
IUPAC Name2-[cyclopentyl-[3-(methanesulfonamido)propylcarbamoyl]amino]acetic acid
SMILESCS(=O)(=O)NCCCNC(=O)N(CC(=O)O)C1CCCC1
InChIInChI=1S/C12H23N3O5S/c1-21(19,20)14-8-4-7-13-12(18)15(9-11(16)17)10-5-2-3-6-10/h10,14H,2-9H2,1H3,(H,13,18)(H,16,17)
InChIKeyAOWXDWNRLSXICG-UHFFFAOYSA-N
XLogP-0.04
TPSA115.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 5-0.04
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-[2-(methanesulfonamido)ethylcarbamoyl]amino]acetic acid
CID 61201868
2-[cyclopropyl-[2-(methanesulfonamido)ethylcarbamoyl]amino]acetic acid
CID 54978578
3-[cyclopropyl-[3-(methanesulfonamido)propylcarbamoyl]amino]propanoic acid
CID 106340311
2-[cyclopropyl-[3-(dimethylamino)propylcarbamoyl]amino]acetic acid
CID 54978981
2-[cyclopentyl(2-methylprop-2-enylcarbamoyl)amino]acetic acid
CID 114618078
2-[cyclopropyl(propylcarbamoyl)amino]acetic acid
CID 60828450
2-[cyclopropyl-[2-(dimethylcarbamoylamino)ethylcarbamoyl]amino]acetic acid
CID 83113212
2-[cyclopropyl(2-sulfamoylethylcarbamoyl)amino]acetic acid
CID 54978624
2-[cyclopropyl(3-propoxypropylcarbamoyl)amino]acetic acid
CID 82944448
2-[3-(methanesulfonamido)propylcarbamoyl-(2-methoxyethyl)amino]acetic acid
CID 103995553
2-[cyclopropyl(3,3-dimethylbutylcarbamoyl)amino]acetic acid
CID 103995838
2-[cyclopentyl-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]amino]acetic acid
CID 102907226

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl-[3-(methanesulfonamido)propylcarbamoyl]amino]acetic acid?
The IUPAC name of 2-[cyclopentyl-[3-(methanesulfonamido)propylcarbamoyl]amino]acetic acid (CID 106340334) is 2-[cyclopentyl-[3-(methanesulfonamido)propylcarbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopentyl-[3-(methanesulfonamido)propylcarbamoyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopentyl-[3-(methanesulfonamido)propylcarbamoyl]amino]acetic acid is CS(=O)(=O)NCCCNC(=O)N(CC(=O)O)C1CCCC1.
What is the InChIKey of 2-[cyclopentyl-[3-(methanesulfonamido)propylcarbamoyl]amino]acetic acid?
The InChIKey is AOWXDWNRLSXICG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O5S/c1-21(19,20)14-8-4-7-13-12(18)15(9-11(16)17)10-5-2-3-6-10/h10,14H,2-9H2,1H3,(H,13,18)(H,16,17).
What are the key properties of 2-[cyclopentyl-[3-(methanesulfonamido)propylcarbamoyl]amino]acetic acid?
2-[cyclopentyl-[3-(methanesulfonamido)propylcarbamoyl]amino]acetic acid has a molecular weight of 321.40 g/mol, XLogP of -0.04, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl-[3-(methanesulfonamido)propylcarbamoyl]amino]acetic acid is sourced from PubChem (CID 106340334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).