2-[(2-methyl-2-piperidin-3-ylpropanoyl)-propan-2-ylamino]acetic acid

C14H26N2O3 — CID 83198346

IUPAC2-[(2-methyl-2-piperidin-3-ylpropanoyl)-propan-2-ylamino]acetic acid
SMILESCC(C)N(CC(=O)O)C(=O)C(C)(C)C1CCCNC1
InChIInChI=1S/C14H26N2O3/c1-10(2)16(9-12(17)18)13(19)14(3,4)11-6-5-7-15-8-11/h10-11,15H,5-9H2,1-4H3,(H,17,18)
InChIKeyKEBMQICYWAIMKW-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.33
Rot. Bonds5

About 2-[(2-methyl-2-piperidin-3-ylpropanoyl)-propan-2-ylamino]acetic acid

2-[(2-methyl-2-piperidin-3-ylpropanoyl)-propan-2-ylamino]acetic acid (PubChem CID 83198346) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2-[(2-methyl-2-piperidin-3-ylpropanoyl)-propan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[(2-methyl-2-piperidin-3-ylpropanoyl)-propan-2-ylamino]acetic acid
PubChem CID83198346
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name2-[(2-methyl-2-piperidin-3-ylpropanoyl)-propan-2-ylamino]acetic acid
SMILESCC(C)N(CC(=O)O)C(=O)C(C)(C)C1CCCNC1
InChIInChI=1S/C14H26N2O3/c1-10(2)16(9-12(17)18)13(19)14(3,4)11-6-5-7-15-8-11/h10-11,15H,5-9H2,1-4H3,(H,17,18)
InChIKeyKEBMQICYWAIMKW-UHFFFAOYSA-N
XLogP1.33
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl-(2-methyl-2-piperidin-3-ylpropanoyl)amino]acetic acid
CID 83199032
3-[tert-butyl-(2-methyl-2-piperidin-3-ylpropanoyl)amino]propanoic acid
CID 83198568
N-(2-amino-2-oxoethyl)-2-methyl-N-(2-methylpropyl)-2-piperidin-3-ylpropanamide
CID 83200341
N-(2-amino-2-oxoethyl)-N,2-dimethyl-2-piperidin-3-ylpropanamide
CID 83198334
N,2-dimethyl-N-(1-methylsulfanylpropan-2-yl)-2-piperidin-3-ylpropanamide
CID 112659398
N,N-bis(2-hydroxyethyl)-2-methyl-2-piperidin-3-ylpropanamide
CID 83199754
N,2-dimethyl-N-phenyl-2-piperidin-3-ylpropanamide
CID 83031422
N-ethyl-2-methyl-N-phenyl-2-piperidin-3-ylpropanamide
CID 83198421
2-methyl-N-(2-methylpropyl)-2-piperidin-3-ylpropanamide
CID 83032464
2-methyl-3-[(2-methyl-2-piperidin-3-ylpropanoyl)amino]propanoic acid
CID 83198731
N-[2-(dimethylamino)-2-oxoethyl]-2-methyl-2-piperidin-3-yl-N-propylpropanamide
CID 83198718
methyl 2-[(2-methyl-2-piperidin-3-ylpropanoyl)-propylamino]acetate
CID 83199461

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-2-piperidin-3-ylpropanoyl)-propan-2-ylamino]acetic acid?
The IUPAC name of 2-[(2-methyl-2-piperidin-3-ylpropanoyl)-propan-2-ylamino]acetic acid (CID 83198346) is 2-[(2-methyl-2-piperidin-3-ylpropanoyl)-propan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[(2-methyl-2-piperidin-3-ylpropanoyl)-propan-2-ylamino]acetic acid?
The canonical SMILES for 2-[(2-methyl-2-piperidin-3-ylpropanoyl)-propan-2-ylamino]acetic acid is CC(C)N(CC(=O)O)C(=O)C(C)(C)C1CCCNC1.
What is the InChIKey of 2-[(2-methyl-2-piperidin-3-ylpropanoyl)-propan-2-ylamino]acetic acid?
The InChIKey is KEBMQICYWAIMKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-10(2)16(9-12(17)18)13(19)14(3,4)11-6-5-7-15-8-11/h10-11,15H,5-9H2,1-4H3,(H,17,18).
What are the key properties of 2-[(2-methyl-2-piperidin-3-ylpropanoyl)-propan-2-ylamino]acetic acid?
2-[(2-methyl-2-piperidin-3-ylpropanoyl)-propan-2-ylamino]acetic acid has a molecular weight of 270.37 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-2-piperidin-3-ylpropanoyl)-propan-2-ylamino]acetic acid is sourced from PubChem (CID 83198346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).