3-[ethyl(piperidin-3-yl)amino]-2-methylbutanoic acid

C12H24N2O2 — CID 79413481

IUPAC3-[ethyl(piperidin-3-yl)amino]-2-methylbutanoic acid
SMILESCCN(C1CCCNC1)C(C)C(C)C(=O)O
InChIInChI=1S/C12H24N2O2/c1-4-14(10(3)9(2)12(15)16)11-6-5-7-13-8-11/h9-11,13H,4-8H2,1-3H3,(H,15,16)
InChIKeyUNCGYHREXICELY-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.17
Rot. Bonds5

About 3-[ethyl(piperidin-3-yl)amino]-2-methylbutanoic acid

3-[ethyl(piperidin-3-yl)amino]-2-methylbutanoic acid (PubChem CID 79413481) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 3-[ethyl(piperidin-3-yl)amino]-2-methylbutanoic acid.

Molecular Properties

Compound Name3-[ethyl(piperidin-3-yl)amino]-2-methylbutanoic acid
PubChem CID79413481
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name3-[ethyl(piperidin-3-yl)amino]-2-methylbutanoic acid
SMILESCCN(C1CCCNC1)C(C)C(C)C(=O)O
InChIInChI=1S/C12H24N2O2/c1-4-14(10(3)9(2)12(15)16)11-6-5-7-13-8-11/h9-11,13H,4-8H2,1-3H3,(H,15,16)
InChIKeyUNCGYHREXICELY-UHFFFAOYSA-N
XLogP1.17
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-(3-methylbutan-2-yl)piperidin-3-amine
CID 63644152
2-[ethyl(piperidin-3-yl)amino]-N-propan-2-ylpropanamide
CID 63636253
N-tert-butyl-2-[ethyl(piperidin-3-yl)amino]propanamide
CID 55244726
2-[ethyl(piperidin-3-yl)amino]-N-pentylpropanamide
CID 63638698
N-ethyl-N-(1-phenylethyl)piperidin-3-amine
CID 63643629
N-(1-cyclopropylpropyl)-N-ethylpiperidin-3-amine
CID 64917233
[(3R)-piperidin-3-yl]-propan-2-ylcarbamic acid
CID 66860335
piperidin-3-yl(propan-2-yl)carbamic acid
CID 68784521
N,N-diethyl-2-[methyl(piperidin-3-yl)amino]propanamide
CID 55248539
2-[1-[ethyl(piperidin-3-yl)amino]ethyl]benzene-1,3-diol
CID 107711416
N-methyl-N-[(3S)-piperidin-3-yl]propanamide
CID 93313714
N-ethyl-4-methyl-N-piperidin-3-ylpiperidine-1-carboxamide
CID 79160027

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(piperidin-3-yl)amino]-2-methylbutanoic acid?
The IUPAC name of 3-[ethyl(piperidin-3-yl)amino]-2-methylbutanoic acid (CID 79413481) is 3-[ethyl(piperidin-3-yl)amino]-2-methylbutanoic acid.
What is the SMILES notation for 3-[ethyl(piperidin-3-yl)amino]-2-methylbutanoic acid?
The canonical SMILES for 3-[ethyl(piperidin-3-yl)amino]-2-methylbutanoic acid is CCN(C1CCCNC1)C(C)C(C)C(=O)O.
What is the InChIKey of 3-[ethyl(piperidin-3-yl)amino]-2-methylbutanoic acid?
The InChIKey is UNCGYHREXICELY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-4-14(10(3)9(2)12(15)16)11-6-5-7-13-8-11/h9-11,13H,4-8H2,1-3H3,(H,15,16).
What are the key properties of 3-[ethyl(piperidin-3-yl)amino]-2-methylbutanoic acid?
3-[ethyl(piperidin-3-yl)amino]-2-methylbutanoic acid has a molecular weight of 228.34 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(piperidin-3-yl)amino]-2-methylbutanoic acid is sourced from PubChem (CID 79413481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).