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

C9H19N3O4 — CID 90070597

IUPAC3-[[3-aminopropyl(2-hydroxyethyl)carbamoyl]amino]propanoic acid
SMILESNCCCN(CCO)C(=O)NCCC(=O)O
InChIInChI=1S/C9H19N3O4/c10-3-1-5-12(6-7-13)9(16)11-4-2-8(14)15/h13H,1-7,10H2,(H,11,16)(H,14,15)
InChIKeyAPBQRCOOALGGGS-UHFFFAOYSA-N
MW233.27 g/mol
LogP-1.19
Rot. Bonds8

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

3-[[3-aminopropyl(2-hydroxyethyl)carbamoyl]amino]propanoic acid (PubChem CID 90070597) has the molecular formula C9H19N3O4 and a molecular weight of 233.27 g/mol. Its IUPAC name is 3-[[3-aminopropyl(2-hydroxyethyl)carbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[3-aminopropyl(2-hydroxyethyl)carbamoyl]amino]propanoic acid
PubChem CID90070597
Molecular FormulaC9H19N3O4
Molecular Weight233.27 g/mol
Exact Mass233.14
IUPAC Name3-[[3-aminopropyl(2-hydroxyethyl)carbamoyl]amino]propanoic acid
SMILESNCCCN(CCO)C(=O)NCCC(=O)O
InChIInChI=1S/C9H19N3O4/c10-3-1-5-12(6-7-13)9(16)11-4-2-8(14)15/h13H,1-7,10H2,(H,11,16)(H,14,15)
InChIKeyAPBQRCOOALGGGS-UHFFFAOYSA-N
XLogP-1.19
TPSA115.89 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 5-1.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-aminopropyl(2-hydroxyethyl)carbamoyl]amino]propanoic acid?
The IUPAC name of 3-[[3-aminopropyl(2-hydroxyethyl)carbamoyl]amino]propanoic acid (CID 90070597) is 3-[[3-aminopropyl(2-hydroxyethyl)carbamoyl]amino]propanoic acid.
What is the SMILES notation for 3-[[3-aminopropyl(2-hydroxyethyl)carbamoyl]amino]propanoic acid?
The canonical SMILES for 3-[[3-aminopropyl(2-hydroxyethyl)carbamoyl]amino]propanoic acid is NCCCN(CCO)C(=O)NCCC(=O)O.
What is the InChIKey of 3-[[3-aminopropyl(2-hydroxyethyl)carbamoyl]amino]propanoic acid?
The InChIKey is APBQRCOOALGGGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O4/c10-3-1-5-12(6-7-13)9(16)11-4-2-8(14)15/h13H,1-7,10H2,(H,11,16)(H,14,15).
What are the key properties of 3-[[3-aminopropyl(2-hydroxyethyl)carbamoyl]amino]propanoic acid?
3-[[3-aminopropyl(2-hydroxyethyl)carbamoyl]amino]propanoic acid has a molecular weight of 233.27 g/mol, XLogP of -1.19, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-aminopropyl(2-hydroxyethyl)carbamoyl]amino]propanoic acid is sourced from PubChem (CID 90070597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).