(2S)-2-amino-3-methylbutanoic acid;piperidine

C10H22N2O2 — CID 67532650

IUPAC(2S)-2-amino-3-methylbutanoic acid;piperidine
SMILESC1CCNCC1.CC(C)[C@H](N)C(=O)O
InChIInChI=1S/C5H11NO2.C5H11N/c1-3(2)4(6)5(7)8;1-2-4-6-5-3-1/h3-4H,6H2,1-2H3,(H,7,8);6H,1-5H2/t4-;/m0./s1
InChIKeyPWDPRJGPAGVKLU-WCCKRBBISA-N
MW202.30 g/mol
LogP0.81
Rot. Bonds2

About (2S)-2-amino-3-methylbutanoic acid;piperidine

(2S)-2-amino-3-methylbutanoic acid;piperidine (PubChem CID 67532650) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is (2S)-2-amino-3-methylbutanoic acid;piperidine.

Molecular Properties

Compound Name(2S)-2-amino-3-methylbutanoic acid;piperidine
PubChem CID67532650
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Name(2S)-2-amino-3-methylbutanoic acid;piperidine
SMILESC1CCNCC1.CC(C)[C@H](N)C(=O)O
InChIInChI=1S/C5H11NO2.C5H11N/c1-3(2)4(6)5(7)8;1-2-4-6-5-3-1/h3-4H,6H2,1-2H3,(H,7,8);6H,1-5H2/t4-;/m0./s1
InChIKeyPWDPRJGPAGVKLU-WCCKRBBISA-N
XLogP0.81
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methylbutanoic acid;piperidine?
The IUPAC name of (2S)-2-amino-3-methylbutanoic acid;piperidine (CID 67532650) is (2S)-2-amino-3-methylbutanoic acid;piperidine.
What is the SMILES notation for (2S)-2-amino-3-methylbutanoic acid;piperidine?
The canonical SMILES for (2S)-2-amino-3-methylbutanoic acid;piperidine is C1CCNCC1.CC(C)[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-methylbutanoic acid;piperidine?
The InChIKey is PWDPRJGPAGVKLU-WCCKRBBISA-N. The full InChI is InChI=1S/C5H11NO2.C5H11N/c1-3(2)4(6)5(7)8;1-2-4-6-5-3-1/h3-4H,6H2,1-2H3,(H,7,8);6H,1-5H2/t4-;/m0./s1.
What are the key properties of (2S)-2-amino-3-methylbutanoic acid;piperidine?
(2S)-2-amino-3-methylbutanoic acid;piperidine has a molecular weight of 202.30 g/mol, XLogP of 0.81, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-methylbutanoic acid;piperidine is sourced from PubChem (CID 67532650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).