3-[(4-aminopiperidine-1-carbonyl)amino]propanoic acid

C9H17N3O3 — CID 61402662

IUPAC3-[(4-aminopiperidine-1-carbonyl)amino]propanoic acid
SMILESNC1CCN(C(=O)NCCC(=O)O)CC1
InChIInChI=1S/C9H17N3O3/c10-7-2-5-12(6-3-7)9(15)11-4-1-8(13)14/h7H,1-6,10H2,(H,11,15)(H,13,14)
InChIKeyMIGNLEBSWQSQBD-UHFFFAOYSA-N
MW215.25 g/mol
LogP-0.41
Rot. Bonds3

About 3-[(4-aminopiperidine-1-carbonyl)amino]propanoic acid

3-[(4-aminopiperidine-1-carbonyl)amino]propanoic acid (PubChem CID 61402662) has the molecular formula C9H17N3O3 and a molecular weight of 215.25 g/mol. Its IUPAC name is 3-[(4-aminopiperidine-1-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[(4-aminopiperidine-1-carbonyl)amino]propanoic acid
PubChem CID61402662
Molecular FormulaC9H17N3O3
Molecular Weight215.25 g/mol
Exact Mass215.13
IUPAC Name3-[(4-aminopiperidine-1-carbonyl)amino]propanoic acid
SMILESNC1CCN(C(=O)NCCC(=O)O)CC1
InChIInChI=1S/C9H17N3O3/c10-7-2-5-12(6-3-7)9(15)11-4-1-8(13)14/h7H,1-6,10H2,(H,11,15)(H,13,14)
InChIKeyMIGNLEBSWQSQBD-UHFFFAOYSA-N
XLogP-0.41
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 5-0.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-aminopiperidine-1-carbonyl)amino]propanoic acid?
The IUPAC name of 3-[(4-aminopiperidine-1-carbonyl)amino]propanoic acid (CID 61402662) is 3-[(4-aminopiperidine-1-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[(4-aminopiperidine-1-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-[(4-aminopiperidine-1-carbonyl)amino]propanoic acid is NC1CCN(C(=O)NCCC(=O)O)CC1.
What is the InChIKey of 3-[(4-aminopiperidine-1-carbonyl)amino]propanoic acid?
The InChIKey is MIGNLEBSWQSQBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O3/c10-7-2-5-12(6-3-7)9(15)11-4-1-8(13)14/h7H,1-6,10H2,(H,11,15)(H,13,14).
What are the key properties of 3-[(4-aminopiperidine-1-carbonyl)amino]propanoic acid?
3-[(4-aminopiperidine-1-carbonyl)amino]propanoic acid has a molecular weight of 215.25 g/mol, XLogP of -0.41, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-aminopiperidine-1-carbonyl)amino]propanoic acid is sourced from PubChem (CID 61402662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).