2-[cyclopropyl-[2-(methanesulfonamido)ethylcarbamoyl]amino]acetic acid

C9H17N3O5S — CID 54978578

IUPAC2-[cyclopropyl-[2-(methanesulfonamido)ethylcarbamoyl]amino]acetic acid
SMILESCS(=O)(=O)NCCNC(=O)N(CC(=O)O)C1CC1
InChIInChI=1S/C9H17N3O5S/c1-18(16,17)11-5-4-10-9(15)12(6-8(13)14)7-2-3-7/h7,11H,2-6H2,1H3,(H,10,15)(H,13,14)
InChIKeyHYVSAQRYIIPACS-UHFFFAOYSA-N
MW279.32 g/mol
LogP-1.21
Rot. Bonds7

About 2-[cyclopropyl-[2-(methanesulfonamido)ethylcarbamoyl]amino]acetic acid

2-[cyclopropyl-[2-(methanesulfonamido)ethylcarbamoyl]amino]acetic acid (PubChem CID 54978578) has the molecular formula C9H17N3O5S and a molecular weight of 279.32 g/mol. Its IUPAC name is 2-[cyclopropyl-[2-(methanesulfonamido)ethylcarbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[2-(methanesulfonamido)ethylcarbamoyl]amino]acetic acid
PubChem CID54978578
Molecular FormulaC9H17N3O5S
Molecular Weight279.32 g/mol
Exact Mass279.09
IUPAC Name2-[cyclopropyl-[2-(methanesulfonamido)ethylcarbamoyl]amino]acetic acid
SMILESCS(=O)(=O)NCCNC(=O)N(CC(=O)O)C1CC1
InChIInChI=1S/C9H17N3O5S/c1-18(16,17)11-5-4-10-9(15)12(6-8(13)14)7-2-3-7/h7,11H,2-6H2,1H3,(H,10,15)(H,13,14)
InChIKeyHYVSAQRYIIPACS-UHFFFAOYSA-N
XLogP-1.21
TPSA115.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 5-1.21
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-[cyclopentyl-[3-(methanesulfonamido)propylcarbamoyl]amino]acetic acid
CID 106340334
2-[cyclopropyl-[2-(dimethylcarbamoylamino)ethylcarbamoyl]amino]acetic acid
CID 83113212
2-[cyclopropyl(propylcarbamoyl)amino]acetic acid
CID 60828450
3-[cyclopropyl-[3-(methanesulfonamido)propylcarbamoyl]amino]propanoic acid
CID 106340311
2-[cyclopropyl(2-sulfamoylethylcarbamoyl)amino]acetic acid
CID 54978624
2-[cyclopropyl(3,3-dimethylbutylcarbamoyl)amino]acetic acid
CID 103995838
2-[cyclopropyl-[3-(dimethylamino)propylcarbamoyl]amino]acetic acid
CID 54978981
2-[cyclopropyl(3-propoxypropylcarbamoyl)amino]acetic acid
CID 82944448
2-[cyclopropyl-[(2-methoxy-2-oxoethyl)carbamoyl]amino]acetic acid
CID 61181974
2-[cyclopropyl(2-cyclopropylpropylcarbamoyl)amino]acetic acid
CID 103997573
2-[cyclopentyl(2-methylprop-2-enylcarbamoyl)amino]acetic acid
CID 114618078

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[2-(methanesulfonamido)ethylcarbamoyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-[2-(methanesulfonamido)ethylcarbamoyl]amino]acetic acid (CID 54978578) is 2-[cyclopropyl-[2-(methanesulfonamido)ethylcarbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-[2-(methanesulfonamido)ethylcarbamoyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-[2-(methanesulfonamido)ethylcarbamoyl]amino]acetic acid is CS(=O)(=O)NCCNC(=O)N(CC(=O)O)C1CC1.
What is the InChIKey of 2-[cyclopropyl-[2-(methanesulfonamido)ethylcarbamoyl]amino]acetic acid?
The InChIKey is HYVSAQRYIIPACS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O5S/c1-18(16,17)11-5-4-10-9(15)12(6-8(13)14)7-2-3-7/h7,11H,2-6H2,1H3,(H,10,15)(H,13,14).
What are the key properties of 2-[cyclopropyl-[2-(methanesulfonamido)ethylcarbamoyl]amino]acetic acid?
2-[cyclopropyl-[2-(methanesulfonamido)ethylcarbamoyl]amino]acetic acid has a molecular weight of 279.32 g/mol, XLogP of -1.21, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[2-(methanesulfonamido)ethylcarbamoyl]amino]acetic acid is sourced from PubChem (CID 54978578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).