2-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl-cyclopropylamino]acetic acid

C10H17N3O5 — CID 106239260

IUPAC2-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl-cyclopropylamino]acetic acid
SMILESNC(=O)COCCNC(=O)N(CC(=O)O)C1CC1
InChIInChI=1S/C10H17N3O5/c11-8(14)6-18-4-3-12-10(17)13(5-9(15)16)7-1-2-7/h7H,1-6H2,(H2,11,14)(H,12,17)(H,15,16)
InChIKeyQIFHEHUHUULZBY-UHFFFAOYSA-N
MW259.26 g/mol
LogP-1.25
Rot. Bonds8

About 2-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl-cyclopropylamino]acetic acid

2-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl-cyclopropylamino]acetic acid (PubChem CID 106239260) has the molecular formula C10H17N3O5 and a molecular weight of 259.26 g/mol. Its IUPAC name is 2-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl-cyclopropylamino]acetic acid.

Molecular Properties

Compound Name2-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl-cyclopropylamino]acetic acid
PubChem CID106239260
Molecular FormulaC10H17N3O5
Molecular Weight259.26 g/mol
Exact Mass259.12
IUPAC Name2-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl-cyclopropylamino]acetic acid
SMILESNC(=O)COCCNC(=O)N(CC(=O)O)C1CC1
InChIInChI=1S/C10H17N3O5/c11-8(14)6-18-4-3-12-10(17)13(5-9(15)16)7-1-2-7/h7H,1-6H2,(H2,11,14)(H,12,17)(H,15,16)
InChIKeyQIFHEHUHUULZBY-UHFFFAOYSA-N
XLogP-1.25
TPSA121.96 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 5-1.25
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-[cyclopropyl(3-propoxypropylcarbamoyl)amino]acetic acid
CID 82944448
2-[cyclopropyl(propylcarbamoyl)amino]acetic acid
CID 60828450
2-[2-[[cyclopropyl(ethyl)carbamoyl]amino]ethoxy]acetic acid
CID 79463035
2-[2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]ethoxy]acetic acid
CID 79463174
2-[cyclopropyl-[2-(dimethylcarbamoylamino)ethylcarbamoyl]amino]acetic acid
CID 83113212
2-[cyclopropyl(2-sulfamoylethylcarbamoyl)amino]acetic acid
CID 54978624
2-[cyclopropyl(3,3-dimethylbutylcarbamoyl)amino]acetic acid
CID 103995838
4-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 106240401
2-[cyclopropyl-[3-(dimethylamino)propylcarbamoyl]amino]acetic acid
CID 54978981
5-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl]oxolane-2-carboxylic acid
CID 106234765
2-[cyclopropyl-[(2-methoxy-2-oxoethyl)carbamoyl]amino]acetic acid
CID 61181974
2-[cyclopropyl-[2-(methanesulfonamido)ethylcarbamoyl]amino]acetic acid
CID 54978578

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl-cyclopropylamino]acetic acid?
The IUPAC name of 2-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl-cyclopropylamino]acetic acid (CID 106239260) is 2-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl-cyclopropylamino]acetic acid.
What is the SMILES notation for 2-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl-cyclopropylamino]acetic acid?
The canonical SMILES for 2-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl-cyclopropylamino]acetic acid is NC(=O)COCCNC(=O)N(CC(=O)O)C1CC1.
What is the InChIKey of 2-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl-cyclopropylamino]acetic acid?
The InChIKey is QIFHEHUHUULZBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O5/c11-8(14)6-18-4-3-12-10(17)13(5-9(15)16)7-1-2-7/h7H,1-6H2,(H2,11,14)(H,12,17)(H,15,16).
What are the key properties of 2-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl-cyclopropylamino]acetic acid?
2-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl-cyclopropylamino]acetic acid has a molecular weight of 259.26 g/mol, XLogP of -1.25, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl-cyclopropylamino]acetic acid is sourced from PubChem (CID 106239260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).