(2S)-2-amino-3-methylbutanoic acid;piperidin-4-amine

C10H23N3O2 — CID 67934099

IUPAC(2S)-2-amino-3-methylbutanoic acid;piperidin-4-amine
SMILESCC(C)[C@H](N)C(=O)O.NC1CCNCC1
InChIInChI=1S/C5H12N2.C5H11NO2/c6-5-1-3-7-4-2-5;1-3(2)4(6)5(7)8/h5,7H,1-4,6H2;3-4H,6H2,1-2H3,(H,7,8)/t;4-/m.0/s1
InChIKeyUQWPCZMUSUIANB-VWMHFEHESA-N
MW217.31 g/mol
LogP-0.25
Rot. Bonds2

About (2S)-2-amino-3-methylbutanoic acid;piperidin-4-amine

(2S)-2-amino-3-methylbutanoic acid;piperidin-4-amine (PubChem CID 67934099) has the molecular formula C10H23N3O2 and a molecular weight of 217.31 g/mol. Its IUPAC name is (2S)-2-amino-3-methylbutanoic acid;piperidin-4-amine.

Molecular Properties

Compound Name(2S)-2-amino-3-methylbutanoic acid;piperidin-4-amine
PubChem CID67934099
Molecular FormulaC10H23N3O2
Molecular Weight217.31 g/mol
Exact Mass217.18
IUPAC Name(2S)-2-amino-3-methylbutanoic acid;piperidin-4-amine
SMILESCC(C)[C@H](N)C(=O)O.NC1CCNCC1
InChIInChI=1S/C5H12N2.C5H11NO2/c6-5-1-3-7-4-2-5;1-3(2)4(6)5(7)8/h5,7H,1-4,6H2;3-4H,6H2,1-2H3,(H,7,8)/t;4-/m.0/s1
InChIKeyUQWPCZMUSUIANB-VWMHFEHESA-N
XLogP-0.25
TPSA101.37 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 5-0.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methylbutanoic acid;piperidin-4-amine?
The IUPAC name of (2S)-2-amino-3-methylbutanoic acid;piperidin-4-amine (CID 67934099) is (2S)-2-amino-3-methylbutanoic acid;piperidin-4-amine.
What is the SMILES notation for (2S)-2-amino-3-methylbutanoic acid;piperidin-4-amine?
The canonical SMILES for (2S)-2-amino-3-methylbutanoic acid;piperidin-4-amine is CC(C)[C@H](N)C(=O)O.NC1CCNCC1.
What is the InChIKey of (2S)-2-amino-3-methylbutanoic acid;piperidin-4-amine?
The InChIKey is UQWPCZMUSUIANB-VWMHFEHESA-N. The full InChI is InChI=1S/C5H12N2.C5H11NO2/c6-5-1-3-7-4-2-5;1-3(2)4(6)5(7)8/h5,7H,1-4,6H2;3-4H,6H2,1-2H3,(H,7,8)/t;4-/m.0/s1.
What are the key properties of (2S)-2-amino-3-methylbutanoic acid;piperidin-4-amine?
(2S)-2-amino-3-methylbutanoic acid;piperidin-4-amine has a molecular weight of 217.31 g/mol, XLogP of -0.25, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-methylbutanoic acid;piperidin-4-amine is sourced from PubChem (CID 67934099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).