2-amino-2-methyl-5-(4-propylpiperidin-1-yl)pentanoic acid

C14H28N2O2 — CID 62206652

IUPAC2-amino-2-methyl-5-(4-propylpiperidin-1-yl)pentanoic acid
SMILESCCCC1CCN(CCCC(C)(N)C(=O)O)CC1
InChIInChI=1S/C14H28N2O2/c1-3-5-12-6-10-16(11-7-12)9-4-8-14(2,15)13(17)18/h12H,3-11,15H2,1-2H3,(H,17,18)
InChIKeyLJNCWDZGWCTMAO-UHFFFAOYSA-N
MW256.39 g/mol
LogP2.08
Rot. Bonds7

About 2-amino-2-methyl-5-(4-propylpiperidin-1-yl)pentanoic acid

2-amino-2-methyl-5-(4-propylpiperidin-1-yl)pentanoic acid (PubChem CID 62206652) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2-amino-2-methyl-5-(4-propylpiperidin-1-yl)pentanoic acid.

Molecular Properties

Compound Name2-amino-2-methyl-5-(4-propylpiperidin-1-yl)pentanoic acid
PubChem CID62206652
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name2-amino-2-methyl-5-(4-propylpiperidin-1-yl)pentanoic acid
SMILESCCCC1CCN(CCCC(C)(N)C(=O)O)CC1
InChIInChI=1S/C14H28N2O2/c1-3-5-12-6-10-16(11-7-12)9-4-8-14(2,15)13(17)18/h12H,3-11,15H2,1-2H3,(H,17,18)
InChIKeyLJNCWDZGWCTMAO-UHFFFAOYSA-N
XLogP2.08
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-methyl-6-(4-propylpiperidin-1-yl)hexanoic acid
CID 62206651
2-amino-6-[4-(methoxymethyl)piperidin-1-yl]-2-methylhexanoic acid
CID 63972004
2-amino-2-ethyl-5-(4-propylazepan-1-yl)pentanoic acid
CID 106806311
2-amino-2-methyl-4-(4-propylpiperidin-1-yl)butanamide
CID 62205252
2-amino-2-methyl-5-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentanoic acid
CID 55159526
2-methyl-2-(methylamino)-5-(4-propylpiperidin-1-yl)pentan-1-ol
CID 64786842
2,2-dimethyl-3-(4-propylpiperidin-1-yl)propanoic acid
CID 62271022
2-amino-5-(3-methoxy-4-methylpiperidin-1-yl)-2-methylpentanoic acid
CID 102966380
methanesulfonic acid;4-propyl-1-undecylpiperidine
CID 175583605
2-methyl-2-(propan-2-ylamino)-4-(4-propylpiperidin-1-yl)butanoic acid
CID 62205065
3-(4-propylpiperidin-1-yl)propane-1-sulfinate
CID 174406890
5-(4-ethylazepan-1-yl)-2,2-dimethylpentanoic acid
CID 65254850

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-5-(4-propylpiperidin-1-yl)pentanoic acid?
The IUPAC name of 2-amino-2-methyl-5-(4-propylpiperidin-1-yl)pentanoic acid (CID 62206652) is 2-amino-2-methyl-5-(4-propylpiperidin-1-yl)pentanoic acid.
What is the SMILES notation for 2-amino-2-methyl-5-(4-propylpiperidin-1-yl)pentanoic acid?
The canonical SMILES for 2-amino-2-methyl-5-(4-propylpiperidin-1-yl)pentanoic acid is CCCC1CCN(CCCC(C)(N)C(=O)O)CC1.
What is the InChIKey of 2-amino-2-methyl-5-(4-propylpiperidin-1-yl)pentanoic acid?
The InChIKey is LJNCWDZGWCTMAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-3-5-12-6-10-16(11-7-12)9-4-8-14(2,15)13(17)18/h12H,3-11,15H2,1-2H3,(H,17,18).
What are the key properties of 2-amino-2-methyl-5-(4-propylpiperidin-1-yl)pentanoic acid?
2-amino-2-methyl-5-(4-propylpiperidin-1-yl)pentanoic acid has a molecular weight of 256.39 g/mol, XLogP of 2.08, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-5-(4-propylpiperidin-1-yl)pentanoic acid is sourced from PubChem (CID 62206652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).