2-[cyclopropyl-[3-(dimethylamino)propylcarbamoyl]amino]acetic acid

C11H21N3O3 — CID 54978981

IUPAC2-[cyclopropyl-[3-(dimethylamino)propylcarbamoyl]amino]acetic acid
SMILESCN(C)CCCNC(=O)N(CC(=O)O)C1CC1
InChIInChI=1S/C11H21N3O3/c1-13(2)7-3-6-12-11(17)14(8-10(15)16)9-4-5-9/h9H,3-8H2,1-2H3,(H,12,17)(H,15,16)
InChIKeyKQJSYAFEOBPCMS-UHFFFAOYSA-N
MW243.31 g/mol
LogP0.20
Rot. Bonds7

About 2-[cyclopropyl-[3-(dimethylamino)propylcarbamoyl]amino]acetic acid

2-[cyclopropyl-[3-(dimethylamino)propylcarbamoyl]amino]acetic acid (PubChem CID 54978981) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-[cyclopropyl-[3-(dimethylamino)propylcarbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[3-(dimethylamino)propylcarbamoyl]amino]acetic acid
PubChem CID54978981
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Name2-[cyclopropyl-[3-(dimethylamino)propylcarbamoyl]amino]acetic acid
SMILESCN(C)CCCNC(=O)N(CC(=O)O)C1CC1
InChIInChI=1S/C11H21N3O3/c1-13(2)7-3-6-12-11(17)14(8-10(15)16)9-4-5-9/h9H,3-8H2,1-2H3,(H,12,17)(H,15,16)
InChIKeyKQJSYAFEOBPCMS-UHFFFAOYSA-N
XLogP0.20
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[cyclopropyl-[2-(dimethylcarbamoylamino)ethylcarbamoyl]amino]acetic acid
CID 83113212
2-[cyclopropyl(propylcarbamoyl)amino]acetic acid
CID 60828450
2-[cyclopropyl(3-propoxypropylcarbamoyl)amino]acetic acid
CID 82944448
2-[cyclopropyl(3,3-dimethylbutylcarbamoyl)amino]acetic acid
CID 103995838
2-[cyclopropyl-[2-(methanesulfonamido)ethylcarbamoyl]amino]acetic acid
CID 54978578
2-[cyclopentyl-[3-(methanesulfonamido)propylcarbamoyl]amino]acetic acid
CID 106340334
2-[cyclopropyl(2-sulfamoylethylcarbamoyl)amino]acetic acid
CID 54978624
4-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]butanoic acid
CID 102865736
2-[cyclopropyl-[(2-methoxy-2-oxoethyl)carbamoyl]amino]acetic acid
CID 61181974
4-[[cyclopropyl(2-methylpropyl)carbamoyl]amino]butanoic acid
CID 55001169
2-[cyclopropyl(2-cyclopropylpropylcarbamoyl)amino]acetic acid
CID 103997573
2-[cyclopentyl-[2-(methanesulfonamido)ethylcarbamoyl]amino]acetic acid
CID 61201868

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[3-(dimethylamino)propylcarbamoyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-[3-(dimethylamino)propylcarbamoyl]amino]acetic acid (CID 54978981) is 2-[cyclopropyl-[3-(dimethylamino)propylcarbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-[3-(dimethylamino)propylcarbamoyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-[3-(dimethylamino)propylcarbamoyl]amino]acetic acid is CN(C)CCCNC(=O)N(CC(=O)O)C1CC1.
What is the InChIKey of 2-[cyclopropyl-[3-(dimethylamino)propylcarbamoyl]amino]acetic acid?
The InChIKey is KQJSYAFEOBPCMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-13(2)7-3-6-12-11(17)14(8-10(15)16)9-4-5-9/h9H,3-8H2,1-2H3,(H,12,17)(H,15,16).
What are the key properties of 2-[cyclopropyl-[3-(dimethylamino)propylcarbamoyl]amino]acetic acid?
2-[cyclopropyl-[3-(dimethylamino)propylcarbamoyl]amino]acetic acid has a molecular weight of 243.31 g/mol, XLogP of 0.20, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[3-(dimethylamino)propylcarbamoyl]amino]acetic acid is sourced from PubChem (CID 54978981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).