(2S)-4-methyl-2-(piperidin-1-ylamino)pentanoic acid

C11H22N2O2 — CID 175009687

IUPAC(2S)-4-methyl-2-(piperidin-1-ylamino)pentanoic acid
SMILESCC(C)C[C@H](NN1CCCCC1)C(=O)O
InChIInChI=1S/C11H22N2O2/c1-9(2)8-10(11(14)15)12-13-6-4-3-5-7-13/h9-10,12H,3-8H2,1-2H3,(H,14,15)/t10-/m0/s1
InChIKeyKTWCCHRZLWMOPM-JTQLQIEISA-N
MW214.31 g/mol
LogP1.48
Rot. Bonds5

About (2S)-4-methyl-2-(piperidin-1-ylamino)pentanoic acid

(2S)-4-methyl-2-(piperidin-1-ylamino)pentanoic acid (PubChem CID 175009687) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is (2S)-4-methyl-2-(piperidin-1-ylamino)pentanoic acid.

Molecular Properties

Compound Name(2S)-4-methyl-2-(piperidin-1-ylamino)pentanoic acid
PubChem CID175009687
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name(2S)-4-methyl-2-(piperidin-1-ylamino)pentanoic acid
SMILESCC(C)C[C@H](NN1CCCCC1)C(=O)O
InChIInChI=1S/C11H22N2O2/c1-9(2)8-10(11(14)15)12-13-6-4-3-5-7-13/h9-10,12H,3-8H2,1-2H3,(H,14,15)/t10-/m0/s1
InChIKeyKTWCCHRZLWMOPM-JTQLQIEISA-N
XLogP1.48
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(azepan-1-yl)acetyl]amino]-4-methylpentanoic acid
CID 82042989
(2R)-2-(azepan-1-ylsulfonylamino)-4-methylpentanoic acid
CID 28783951
(2S)-2,4-dimethylpentanoic acid;(2S)-2,4-dimethyl-1-pyrrolidin-1-ylpentan-1-one
CID 161488087
2-[3-(azepan-1-yl)propanoylamino]-4-methylpentanoic acid
CID 52983772
2-(cyclooctanecarbonylamino)-4-methylpentanoic acid
CID 65018915
(2S)-2-(cycloheptanecarbonylamino)-4-methylpentanoic acid
CID 22872515
4-methyl-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]pentanoic acid
CID 61439871
(2S)-4-methyl-2-(1-pyrrolidin-1-ylpropan-2-ylcarbamoylamino)pentanoic acid
CID 61475849
(2R)-4-methyl-2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]pentanoic acid
CID 120964190
4-methyl-2-(methylamino)-1-piperidin-1-ylpentan-1-one
CID 110838084
methyl 3-amino-2-(piperidin-1-ylamino)propanoate
CID 83010908
4-methyl-2-piperidin-1-ylpentanoic acid;hydrobromide
CID 70074809

Frequently Asked Questions

What is the IUPAC name of (2S)-4-methyl-2-(piperidin-1-ylamino)pentanoic acid?
The IUPAC name of (2S)-4-methyl-2-(piperidin-1-ylamino)pentanoic acid (CID 175009687) is (2S)-4-methyl-2-(piperidin-1-ylamino)pentanoic acid.
What is the SMILES notation for (2S)-4-methyl-2-(piperidin-1-ylamino)pentanoic acid?
The canonical SMILES for (2S)-4-methyl-2-(piperidin-1-ylamino)pentanoic acid is CC(C)C[C@H](NN1CCCCC1)C(=O)O.
What is the InChIKey of (2S)-4-methyl-2-(piperidin-1-ylamino)pentanoic acid?
The InChIKey is KTWCCHRZLWMOPM-JTQLQIEISA-N. The full InChI is InChI=1S/C11H22N2O2/c1-9(2)8-10(11(14)15)12-13-6-4-3-5-7-13/h9-10,12H,3-8H2,1-2H3,(H,14,15)/t10-/m0/s1.
What are the key properties of (2S)-4-methyl-2-(piperidin-1-ylamino)pentanoic acid?
(2S)-4-methyl-2-(piperidin-1-ylamino)pentanoic acid has a molecular weight of 214.31 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methyl-2-(piperidin-1-ylamino)pentanoic acid is sourced from PubChem (CID 175009687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).