2-[1-(2-aminobutanoyl)piperidin-4-yl]acetic acid

C11H20N2O3 — CID 79615163

IUPAC2-[1-(2-aminobutanoyl)piperidin-4-yl]acetic acid
SMILESCCC(N)C(=O)N1CCC(CC(=O)O)CC1
InChIInChI=1S/C11H20N2O3/c1-2-9(12)11(16)13-5-3-8(4-6-13)7-10(14)15/h8-9H,2-7,12H2,1H3,(H,14,15)
InChIKeyNNTJHMOOBCFUFP-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.44
Rot. Bonds4

About 2-[1-(2-aminobutanoyl)piperidin-4-yl]acetic acid

2-[1-(2-aminobutanoyl)piperidin-4-yl]acetic acid (PubChem CID 79615163) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-[1-(2-aminobutanoyl)piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-aminobutanoyl)piperidin-4-yl]acetic acid
PubChem CID79615163
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name2-[1-(2-aminobutanoyl)piperidin-4-yl]acetic acid
SMILESCCC(N)C(=O)N1CCC(CC(=O)O)CC1
InChIInChI=1S/C11H20N2O3/c1-2-9(12)11(16)13-5-3-8(4-6-13)7-10(14)15/h8-9H,2-7,12H2,1H3,(H,14,15)
InChIKeyNNTJHMOOBCFUFP-UHFFFAOYSA-N
XLogP0.44
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[(2S)-2-aminohexanoyl]piperidin-4-yl]acetic acid
CID 107145977
(2S)-2-amino-1-(4-methylpiperidin-1-yl)butan-1-one
CID 79025031
2-amino-1-(3-propylpyrrolidin-1-yl)butan-1-one
CID 115734204
2-[1-[2-(aminomethyl)-4,4-dimethylpentanoyl]piperidin-4-yl]acetic acid
CID 107472406
2-amino-1-(4-methoxypiperidin-1-yl)butan-1-one
CID 43649581
(2S)-2-amino-1-(4-methoxypiperidin-1-yl)butan-1-one
CID 79025055
2-[8-[(2R)-2-aminobutanoyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79608726
3-[1-[(2S)-2-aminobutanoyl]piperidin-4-yl]oxypropanoic acid
CID 79022757
2-[1-[2-(methylamino)propanoyl]piperidin-4-yl]acetic acid
CID 79615727
1-(4-acetylpiperazin-1-yl)-2-aminobutan-1-one
CID 60893476
1-[(2S)-2-aminobutanoyl]-N,N-dimethylpiperidine-4-carboxamide
CID 79024849
(2S)-2-amino-1-(4-phenylpiperidin-1-yl)butan-1-one
CID 79024088

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-aminobutanoyl)piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-(2-aminobutanoyl)piperidin-4-yl]acetic acid (CID 79615163) is 2-[1-(2-aminobutanoyl)piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-(2-aminobutanoyl)piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-(2-aminobutanoyl)piperidin-4-yl]acetic acid is CCC(N)C(=O)N1CCC(CC(=O)O)CC1.
What is the InChIKey of 2-[1-(2-aminobutanoyl)piperidin-4-yl]acetic acid?
The InChIKey is NNTJHMOOBCFUFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-2-9(12)11(16)13-5-3-8(4-6-13)7-10(14)15/h8-9H,2-7,12H2,1H3,(H,14,15).
What are the key properties of 2-[1-(2-aminobutanoyl)piperidin-4-yl]acetic acid?
2-[1-(2-aminobutanoyl)piperidin-4-yl]acetic acid has a molecular weight of 228.29 g/mol, XLogP of 0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-aminobutanoyl)piperidin-4-yl]acetic acid is sourced from PubChem (CID 79615163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).