3-[[3-aminopropyl(2-methoxyethyl)carbamoyl]amino]propanoic acid

C10H21N3O4 — CID 90070668

IUPAC3-[[3-aminopropyl(2-methoxyethyl)carbamoyl]amino]propanoic acid
SMILESCOCCN(CCCN)C(=O)NCCC(=O)O
InChIInChI=1S/C10H21N3O4/c1-17-8-7-13(6-2-4-11)10(16)12-5-3-9(14)15/h2-8,11H2,1H3,(H,12,16)(H,14,15)
InChIKeyGKKQCBMZGDHMRZ-UHFFFAOYSA-N
MW247.29 g/mol
LogP-0.53
Rot. Bonds9

About 3-[[3-aminopropyl(2-methoxyethyl)carbamoyl]amino]propanoic acid

3-[[3-aminopropyl(2-methoxyethyl)carbamoyl]amino]propanoic acid (PubChem CID 90070668) has the molecular formula C10H21N3O4 and a molecular weight of 247.29 g/mol. Its IUPAC name is 3-[[3-aminopropyl(2-methoxyethyl)carbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[3-aminopropyl(2-methoxyethyl)carbamoyl]amino]propanoic acid
PubChem CID90070668
Molecular FormulaC10H21N3O4
Molecular Weight247.29 g/mol
Exact Mass247.15
IUPAC Name3-[[3-aminopropyl(2-methoxyethyl)carbamoyl]amino]propanoic acid
SMILESCOCCN(CCCN)C(=O)NCCC(=O)O
InChIInChI=1S/C10H21N3O4/c1-17-8-7-13(6-2-4-11)10(16)12-5-3-9(14)15/h2-8,11H2,1H3,(H,12,16)(H,14,15)
InChIKeyGKKQCBMZGDHMRZ-UHFFFAOYSA-N
XLogP-0.53
TPSA104.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 5-0.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-aminopropyl(2-methoxyethyl)carbamoyl]amino]propanoic acid?
The IUPAC name of 3-[[3-aminopropyl(2-methoxyethyl)carbamoyl]amino]propanoic acid (CID 90070668) is 3-[[3-aminopropyl(2-methoxyethyl)carbamoyl]amino]propanoic acid.
What is the SMILES notation for 3-[[3-aminopropyl(2-methoxyethyl)carbamoyl]amino]propanoic acid?
The canonical SMILES for 3-[[3-aminopropyl(2-methoxyethyl)carbamoyl]amino]propanoic acid is COCCN(CCCN)C(=O)NCCC(=O)O.
What is the InChIKey of 3-[[3-aminopropyl(2-methoxyethyl)carbamoyl]amino]propanoic acid?
The InChIKey is GKKQCBMZGDHMRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O4/c1-17-8-7-13(6-2-4-11)10(16)12-5-3-9(14)15/h2-8,11H2,1H3,(H,12,16)(H,14,15).
What are the key properties of 3-[[3-aminopropyl(2-methoxyethyl)carbamoyl]amino]propanoic acid?
3-[[3-aminopropyl(2-methoxyethyl)carbamoyl]amino]propanoic acid has a molecular weight of 247.29 g/mol, XLogP of -0.53, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-aminopropyl(2-methoxyethyl)carbamoyl]amino]propanoic acid is sourced from PubChem (CID 90070668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).