2-[butan-2-yl(3-piperidin-4-ylpropanoyl)amino]acetic acid

C14H26N2O3 — CID 62210937

IUPAC2-[butan-2-yl(3-piperidin-4-ylpropanoyl)amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)CCC1CCNCC1
InChIInChI=1S/C14H26N2O3/c1-3-11(2)16(10-14(18)19)13(17)5-4-12-6-8-15-9-7-12/h11-12,15H,3-10H2,1-2H3,(H,18,19)
InChIKeyJLGPJDAMDDYVIM-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.48
Rot. Bonds7

About 2-[butan-2-yl(3-piperidin-4-ylpropanoyl)amino]acetic acid

2-[butan-2-yl(3-piperidin-4-ylpropanoyl)amino]acetic acid (PubChem CID 62210937) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2-[butan-2-yl(3-piperidin-4-ylpropanoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[butan-2-yl(3-piperidin-4-ylpropanoyl)amino]acetic acid
PubChem CID62210937
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name2-[butan-2-yl(3-piperidin-4-ylpropanoyl)amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)CCC1CCNCC1
InChIInChI=1S/C14H26N2O3/c1-3-11(2)16(10-14(18)19)13(17)5-4-12-6-8-15-9-7-12/h11-12,15H,3-10H2,1-2H3,(H,18,19)
InChIKeyJLGPJDAMDDYVIM-UHFFFAOYSA-N
XLogP1.48
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[butan-2-yl(3-cyclopentylpropanoyl)amino]acetic acid
CID 60828220
N-butan-2-yl-N-methyl-3-piperidin-4-ylpropanamide
CID 62210682
2-[methyl(3-piperidin-4-ylpropanoyl)amino]acetic acid
CID 62212379
N-(2-amino-2-oxoethyl)-3-piperidin-4-yl-N-propan-2-ylpropanamide
CID 55133656
N-methyl-3-piperidin-4-yl-N-propan-2-ylpropanamide
CID 62211368
N-methyl-N-(3-methylbutan-2-yl)-3-piperidin-4-ylpropanamide
CID 62210167
2-[butan-2-yl-(2-cyclohexylacetyl)amino]acetic acid
CID 60828230
5-methyl-1-piperidin-4-ylheptan-3-one
CID 116563326
N-butan-2-yl-N-butyl-2-piperidin-4-ylacetamide
CID 61028847
N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)-3-piperidin-4-ylpropanamide
CID 62211442
2-[butan-2-yl(3-methoxypropanoyl)amino]acetic acid
CID 62591148
N-butan-2-yl-3-piperidin-4-ylpropanamide
CID 62210305

Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl(3-piperidin-4-ylpropanoyl)amino]acetic acid?
The IUPAC name of 2-[butan-2-yl(3-piperidin-4-ylpropanoyl)amino]acetic acid (CID 62210937) is 2-[butan-2-yl(3-piperidin-4-ylpropanoyl)amino]acetic acid.
What is the SMILES notation for 2-[butan-2-yl(3-piperidin-4-ylpropanoyl)amino]acetic acid?
The canonical SMILES for 2-[butan-2-yl(3-piperidin-4-ylpropanoyl)amino]acetic acid is CCC(C)N(CC(=O)O)C(=O)CCC1CCNCC1.
What is the InChIKey of 2-[butan-2-yl(3-piperidin-4-ylpropanoyl)amino]acetic acid?
The InChIKey is JLGPJDAMDDYVIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-3-11(2)16(10-14(18)19)13(17)5-4-12-6-8-15-9-7-12/h11-12,15H,3-10H2,1-2H3,(H,18,19).
What are the key properties of 2-[butan-2-yl(3-piperidin-4-ylpropanoyl)amino]acetic acid?
2-[butan-2-yl(3-piperidin-4-ylpropanoyl)amino]acetic acid has a molecular weight of 270.37 g/mol, XLogP of 1.48, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl(3-piperidin-4-ylpropanoyl)amino]acetic acid is sourced from PubChem (CID 62210937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).