3-[amino(3-hydroxypropyl)amino]propanoic acid

C6H14N2O3 — CID 123185238

IUPAC3-[amino(3-hydroxypropyl)amino]propanoic acid
SMILESNN(CCCO)CCC(=O)O
InChIInChI=1S/C6H14N2O3/c7-8(3-1-5-9)4-2-6(10)11/h9H,1-5,7H2,(H,10,11)
InChIKeyFNCWYYLNEZOTEN-UHFFFAOYSA-N
MW162.19 g/mol
LogP-0.98
Rot. Bonds6

About 3-[amino(3-hydroxypropyl)amino]propanoic acid

3-[amino(3-hydroxypropyl)amino]propanoic acid (PubChem CID 123185238) has the molecular formula C6H14N2O3 and a molecular weight of 162.19 g/mol. Its IUPAC name is 3-[amino(3-hydroxypropyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[amino(3-hydroxypropyl)amino]propanoic acid
PubChem CID123185238
Molecular FormulaC6H14N2O3
Molecular Weight162.19 g/mol
Exact Mass162.10
IUPAC Name3-[amino(3-hydroxypropyl)amino]propanoic acid
SMILESNN(CCCO)CCC(=O)O
InChIInChI=1S/C6H14N2O3/c7-8(3-1-5-9)4-2-6(10)11/h9H,1-5,7H2,(H,10,11)
InChIKeyFNCWYYLNEZOTEN-UHFFFAOYSA-N
XLogP-0.98
TPSA86.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 5-0.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[Amino(methyl)amino]propanoic acid
CID 21535851
3,3'-(Hydrazine-1,1-diyl)dipropanoic acid
CID 14344753
3-[Amino(ethyl)amino]propanoic acid
CID 22737595
[2-Carboxyethyl(methyl)amino]-oxidoazanium
CID 89930644
3-[Amino(propyl)amino]propanoic acid
CID 91107861
Sodium 3-[amino(2-hydroxyethyl)amino]propanoate
CID 139704577
3-[Amino(methyl)amino]propanoic acid;ethane
CID 144503936
3-[Amino(propan-2-yl)amino]propanoic acid
CID 150878965
(3S)-3-[amino(2-methylpropyl)amino]-3-hydroxypropanoic acid
CID 175769121
Amino-(2-carboxyethyl)-dimethylazanium
CID 437717
Amino-(2-carboxyethyl)-dimethylazanium hydroxide
CID 24201732
3-[Amino(2-hydroxyethyl)amino]propanoic acid
CID 55302513

Frequently Asked Questions

What is the IUPAC name of 3-[amino(3-hydroxypropyl)amino]propanoic acid?
The IUPAC name of 3-[amino(3-hydroxypropyl)amino]propanoic acid (CID 123185238) is 3-[amino(3-hydroxypropyl)amino]propanoic acid.
What is the SMILES notation for 3-[amino(3-hydroxypropyl)amino]propanoic acid?
The canonical SMILES for 3-[amino(3-hydroxypropyl)amino]propanoic acid is NN(CCCO)CCC(=O)O.
What is the InChIKey of 3-[amino(3-hydroxypropyl)amino]propanoic acid?
The InChIKey is FNCWYYLNEZOTEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O3/c7-8(3-1-5-9)4-2-6(10)11/h9H,1-5,7H2,(H,10,11).
What are the key properties of 3-[amino(3-hydroxypropyl)amino]propanoic acid?
3-[amino(3-hydroxypropyl)amino]propanoic acid has a molecular weight of 162.19 g/mol, XLogP of -0.98, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[amino(3-hydroxypropyl)amino]propanoic acid is sourced from PubChem (CID 123185238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).