4-(3-aminopropylamino)-3-methoxypiperidine-1-carboxylic acid

C10H21N3O3 — CID 22474686

IUPAC4-(3-aminopropylamino)-3-methoxypiperidine-1-carboxylic acid
SMILESCOC1CN(C(=O)O)CCC1NCCCN
InChIInChI=1S/C10H21N3O3/c1-16-9-7-13(10(14)15)6-3-8(9)12-5-2-4-11/h8-9,12H,2-7,11H2,1H3,(H,14,15)
InChIKeyOBQYQTWEDVIHLS-UHFFFAOYSA-N
MW231.30 g/mol
LogP-0.31
Rot. Bonds5

About 4-(3-aminopropylamino)-3-methoxypiperidine-1-carboxylic acid

4-(3-aminopropylamino)-3-methoxypiperidine-1-carboxylic acid (PubChem CID 22474686) has the molecular formula C10H21N3O3 and a molecular weight of 231.30 g/mol. Its IUPAC name is 4-(3-aminopropylamino)-3-methoxypiperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(3-aminopropylamino)-3-methoxypiperidine-1-carboxylic acid
PubChem CID22474686
Molecular FormulaC10H21N3O3
Molecular Weight231.30 g/mol
Exact Mass231.16
IUPAC Name4-(3-aminopropylamino)-3-methoxypiperidine-1-carboxylic acid
SMILESCOC1CN(C(=O)O)CCC1NCCCN
InChIInChI=1S/C10H21N3O3/c1-16-9-7-13(10(14)15)6-3-8(9)12-5-2-4-11/h8-9,12H,2-7,11H2,1H3,(H,14,15)
InChIKeyOBQYQTWEDVIHLS-UHFFFAOYSA-N
XLogP-0.31
TPSA87.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(3-aminopropylamino)-3-methoxypiperidine-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopropylamino)-3-methoxypiperidine-1-carboxylic acid?
The IUPAC name of 4-(3-aminopropylamino)-3-methoxypiperidine-1-carboxylic acid (CID 22474686) is 4-(3-aminopropylamino)-3-methoxypiperidine-1-carboxylic acid.
What is the SMILES notation for 4-(3-aminopropylamino)-3-methoxypiperidine-1-carboxylic acid?
The canonical SMILES for 4-(3-aminopropylamino)-3-methoxypiperidine-1-carboxylic acid is COC1CN(C(=O)O)CCC1NCCCN.
What is the InChIKey of 4-(3-aminopropylamino)-3-methoxypiperidine-1-carboxylic acid?
The InChIKey is OBQYQTWEDVIHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O3/c1-16-9-7-13(10(14)15)6-3-8(9)12-5-2-4-11/h8-9,12H,2-7,11H2,1H3,(H,14,15).
What are the key properties of 4-(3-aminopropylamino)-3-methoxypiperidine-1-carboxylic acid?
4-(3-aminopropylamino)-3-methoxypiperidine-1-carboxylic acid has a molecular weight of 231.30 g/mol, XLogP of -0.31, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopropylamino)-3-methoxypiperidine-1-carboxylic acid is sourced from PubChem (CID 22474686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).