2,2-dimethyl-3-(piperidin-1-ylamino)propanoic acid

C10H20N2O2 — CID 83014064

IUPAC2,2-dimethyl-3-(piperidin-1-ylamino)propanoic acid
SMILESCC(C)(CNN1CCCCC1)C(=O)O
InChIInChI=1S/C10H20N2O2/c1-10(2,9(13)14)8-11-12-6-4-3-5-7-12/h11H,3-8H2,1-2H3,(H,13,14)
InChIKeyDEEPMWQVZBHUFI-UHFFFAOYSA-N
MW200.28 g/mol
LogP1.09
Rot. Bonds4

About 2,2-dimethyl-3-(piperidin-1-ylamino)propanoic acid

2,2-dimethyl-3-(piperidin-1-ylamino)propanoic acid (PubChem CID 83014064) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 2,2-dimethyl-3-(piperidin-1-ylamino)propanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-(piperidin-1-ylamino)propanoic acid
PubChem CID83014064
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name2,2-dimethyl-3-(piperidin-1-ylamino)propanoic acid
SMILESCC(C)(CNN1CCCCC1)C(=O)O
InChIInChI=1S/C10H20N2O2/c1-10(2,9(13)14)8-11-12-6-4-3-5-7-12/h11H,3-8H2,1-2H3,(H,13,14)
InChIKeyDEEPMWQVZBHUFI-UHFFFAOYSA-N
XLogP1.09
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(piperidin-1-ylamino)propanoic acid?
The IUPAC name of 2,2-dimethyl-3-(piperidin-1-ylamino)propanoic acid (CID 83014064) is 2,2-dimethyl-3-(piperidin-1-ylamino)propanoic acid.
What is the SMILES notation for 2,2-dimethyl-3-(piperidin-1-ylamino)propanoic acid?
The canonical SMILES for 2,2-dimethyl-3-(piperidin-1-ylamino)propanoic acid is CC(C)(CNN1CCCCC1)C(=O)O.
What is the InChIKey of 2,2-dimethyl-3-(piperidin-1-ylamino)propanoic acid?
The InChIKey is DEEPMWQVZBHUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-10(2,9(13)14)8-11-12-6-4-3-5-7-12/h11H,3-8H2,1-2H3,(H,13,14).
What are the key properties of 2,2-dimethyl-3-(piperidin-1-ylamino)propanoic acid?
2,2-dimethyl-3-(piperidin-1-ylamino)propanoic acid has a molecular weight of 200.28 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(piperidin-1-ylamino)propanoic acid is sourced from PubChem (CID 83014064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).