4-(methylamino)-1-propan-2-ylpiperidine-4-carboxylic acid

C10H20N2O2 — CID 43753596

IUPAC4-(methylamino)-1-propan-2-ylpiperidine-4-carboxylic acid
SMILESCNC1(C(=O)O)CCN(C(C)C)CC1
InChIInChI=1S/C10H20N2O2/c1-8(2)12-6-4-10(11-3,5-7-12)9(13)14/h8,11H,4-7H2,1-3H3,(H,13,14)
InChIKeyOUQLKHMDAAFUMW-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.53
Rot. Bonds3

About 4-(methylamino)-1-propan-2-ylpiperidine-4-carboxylic acid

4-(methylamino)-1-propan-2-ylpiperidine-4-carboxylic acid (PubChem CID 43753596) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 4-(methylamino)-1-propan-2-ylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-(methylamino)-1-propan-2-ylpiperidine-4-carboxylic acid
PubChem CID43753596
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name4-(methylamino)-1-propan-2-ylpiperidine-4-carboxylic acid
SMILESCNC1(C(=O)O)CCN(C(C)C)CC1
InChIInChI=1S/C10H20N2O2/c1-8(2)12-6-4-10(11-3,5-7-12)9(13)14/h8,11H,4-7H2,1-3H3,(H,13,14)
InChIKeyOUQLKHMDAAFUMW-UHFFFAOYSA-N
XLogP0.53
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-1-propan-2-ylpiperidine-4-carboxylic acid?
The IUPAC name of 4-(methylamino)-1-propan-2-ylpiperidine-4-carboxylic acid (CID 43753596) is 4-(methylamino)-1-propan-2-ylpiperidine-4-carboxylic acid.
What is the SMILES notation for 4-(methylamino)-1-propan-2-ylpiperidine-4-carboxylic acid?
The canonical SMILES for 4-(methylamino)-1-propan-2-ylpiperidine-4-carboxylic acid is CNC1(C(=O)O)CCN(C(C)C)CC1.
What is the InChIKey of 4-(methylamino)-1-propan-2-ylpiperidine-4-carboxylic acid?
The InChIKey is OUQLKHMDAAFUMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-8(2)12-6-4-10(11-3,5-7-12)9(13)14/h8,11H,4-7H2,1-3H3,(H,13,14).
What are the key properties of 4-(methylamino)-1-propan-2-ylpiperidine-4-carboxylic acid?
4-(methylamino)-1-propan-2-ylpiperidine-4-carboxylic acid has a molecular weight of 200.28 g/mol, XLogP of 0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-1-propan-2-ylpiperidine-4-carboxylic acid is sourced from PubChem (CID 43753596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).