2-[1-[(2S)-2-aminohexanoyl]piperidin-3-yl]-2-methylpropanoic acid

C15H28N2O3 — CID 107146398

IUPAC2-[1-[(2S)-2-aminohexanoyl]piperidin-3-yl]-2-methylpropanoic acid
SMILESCCCC[C@H](N)C(=O)N1CCCC(C(C)(C)C(=O)O)C1
InChIInChI=1S/C15H28N2O3/c1-4-5-8-12(16)13(18)17-9-6-7-11(10-17)15(2,3)14(19)20/h11-12H,4-10,16H2,1-3H3,(H,19,20)/t11?,12-/m0/s1
InChIKeyHFECRTXEURMLLS-KIYNQFGBSA-N
MW284.40 g/mol
LogP1.85
Rot. Bonds6

About 2-[1-[(2S)-2-aminohexanoyl]piperidin-3-yl]-2-methylpropanoic acid

2-[1-[(2S)-2-aminohexanoyl]piperidin-3-yl]-2-methylpropanoic acid (PubChem CID 107146398) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-[1-[(2S)-2-aminohexanoyl]piperidin-3-yl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[1-[(2S)-2-aminohexanoyl]piperidin-3-yl]-2-methylpropanoic acid
PubChem CID107146398
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name2-[1-[(2S)-2-aminohexanoyl]piperidin-3-yl]-2-methylpropanoic acid
SMILESCCCC[C@H](N)C(=O)N1CCCC(C(C)(C)C(=O)O)C1
InChIInChI=1S/C15H28N2O3/c1-4-5-8-12(16)13(18)17-9-6-7-11(10-17)15(2,3)14(19)20/h11-12H,4-10,16H2,1-3H3,(H,19,20)/t11?,12-/m0/s1
InChIKeyHFECRTXEURMLLS-KIYNQFGBSA-N
XLogP1.85
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-3-yl]-2-methylpropanoic acid
CID 83197207
(2S)-2-amino-1-(4-methylazepan-1-yl)hexan-1-one
CID 103831654
2-amino-1-(4-methylazepan-1-yl)hexan-1-one
CID 63626506
(2S)-2-amino-1-[3-(methoxymethyl)piperidin-1-yl]hexan-1-one
CID 103831721
2-[1-[butyl(ethyl)carbamoyl]piperidin-3-yl]-2-methylpropanoic acid
CID 83199554
2-methyl-2-[1-[methyl(pentan-2-yl)carbamoyl]piperidin-3-yl]propanoic acid
CID 83199680
2-amino-1-(4-tert-butylazepan-1-yl)pentan-1-one;hydrochloride
CID 119326049
2-methyl-2-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]propanoic acid
CID 83197573
(2S)-2-amino-1-[4-(trifluoromethyl)piperidin-1-yl]hexan-1-one
CID 103831247
2-amino-1-[3-(trifluoromethyl)piperidin-1-yl]butan-1-one
CID 60918464
2-[1-[ethyl(propan-2-yl)carbamoyl]piperidin-3-yl]-2-methylpropanoic acid
CID 83198068
2-methyl-2-[1-[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]piperidin-3-yl]propanoic acid
CID 115986673

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2S)-2-aminohexanoyl]piperidin-3-yl]-2-methylpropanoic acid?
The IUPAC name of 2-[1-[(2S)-2-aminohexanoyl]piperidin-3-yl]-2-methylpropanoic acid (CID 107146398) is 2-[1-[(2S)-2-aminohexanoyl]piperidin-3-yl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[1-[(2S)-2-aminohexanoyl]piperidin-3-yl]-2-methylpropanoic acid?
The canonical SMILES for 2-[1-[(2S)-2-aminohexanoyl]piperidin-3-yl]-2-methylpropanoic acid is CCCC[C@H](N)C(=O)N1CCCC(C(C)(C)C(=O)O)C1.
What is the InChIKey of 2-[1-[(2S)-2-aminohexanoyl]piperidin-3-yl]-2-methylpropanoic acid?
The InChIKey is HFECRTXEURMLLS-KIYNQFGBSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-4-5-8-12(16)13(18)17-9-6-7-11(10-17)15(2,3)14(19)20/h11-12H,4-10,16H2,1-3H3,(H,19,20)/t11?,12-/m0/s1.
What are the key properties of 2-[1-[(2S)-2-aminohexanoyl]piperidin-3-yl]-2-methylpropanoic acid?
2-[1-[(2S)-2-aminohexanoyl]piperidin-3-yl]-2-methylpropanoic acid has a molecular weight of 284.40 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2S)-2-aminohexanoyl]piperidin-3-yl]-2-methylpropanoic acid is sourced from PubChem (CID 107146398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).