3-[tert-butyl-(2-methyl-2-piperidin-3-ylpropanoyl)amino]propanoic acid

C16H30N2O3 — CID 83198568

IUPAC3-[tert-butyl-(2-methyl-2-piperidin-3-ylpropanoyl)amino]propanoic acid
SMILESCC(C)(C(=O)N(CCC(=O)O)C(C)(C)C)C1CCCNC1
InChIInChI=1S/C16H30N2O3/c1-15(2,3)18(10-8-13(19)20)14(21)16(4,5)12-7-6-9-17-11-12/h12,17H,6-11H2,1-5H3,(H,19,20)
InChIKeyMMIWGJRILDQIAZ-UHFFFAOYSA-N
MW298.43 g/mol
LogP2.11
Rot. Bonds5

About 3-[tert-butyl-(2-methyl-2-piperidin-3-ylpropanoyl)amino]propanoic acid

3-[tert-butyl-(2-methyl-2-piperidin-3-ylpropanoyl)amino]propanoic acid (PubChem CID 83198568) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is 3-[tert-butyl-(2-methyl-2-piperidin-3-ylpropanoyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[tert-butyl-(2-methyl-2-piperidin-3-ylpropanoyl)amino]propanoic acid
PubChem CID83198568
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name3-[tert-butyl-(2-methyl-2-piperidin-3-ylpropanoyl)amino]propanoic acid
SMILESCC(C)(C(=O)N(CCC(=O)O)C(C)(C)C)C1CCCNC1
InChIInChI=1S/C16H30N2O3/c1-15(2,3)18(10-8-13(19)20)14(21)16(4,5)12-7-6-9-17-11-12/h12,17H,6-11H2,1-5H3,(H,19,20)
InChIKeyMMIWGJRILDQIAZ-UHFFFAOYSA-N
XLogP2.11
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 52.11
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
N,N-bis(2-hydroxyethyl)-2-methyl-2-piperidin-3-ylpropanamide
CID 83199754
2-[(2-methyl-2-piperidin-3-ylpropanoyl)-propan-2-ylamino]acetic acid
CID 83198346
methyl 2-[(2-methyl-2-piperidin-3-ylpropanoyl)-propylamino]acetate
CID 83199461
2,5-dimethyl-2-piperidin-3-ylhex-5-en-3-one
CID 116611253
3-[tert-butyl(pyrrolidine-3-carbonyl)amino]propanoic acid
CID 63005181
N-(2-amino-2-oxoethyl)-N,2-dimethyl-2-piperidin-3-ylpropanamide
CID 83198334
2,6-dimethyl-2-piperidin-3-ylhept-6-en-3-one
CID 114478078
N,2-dimethyl-N-phenyl-2-piperidin-3-ylpropanamide
CID 83031422
N,2-dimethyl-2-piperidin-3-ylpropanamide
CID 83031239
N-ethyl-2-methyl-N-phenyl-2-piperidin-3-ylpropanamide
CID 83198421
N,2-dimethyl-2-piperidin-3-yl-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 83199189

Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl-(2-methyl-2-piperidin-3-ylpropanoyl)amino]propanoic acid?
The IUPAC name of 3-[tert-butyl-(2-methyl-2-piperidin-3-ylpropanoyl)amino]propanoic acid (CID 83198568) is 3-[tert-butyl-(2-methyl-2-piperidin-3-ylpropanoyl)amino]propanoic acid.
What is the SMILES notation for 3-[tert-butyl-(2-methyl-2-piperidin-3-ylpropanoyl)amino]propanoic acid?
The canonical SMILES for 3-[tert-butyl-(2-methyl-2-piperidin-3-ylpropanoyl)amino]propanoic acid is CC(C)(C(=O)N(CCC(=O)O)C(C)(C)C)C1CCCNC1.
What is the InChIKey of 3-[tert-butyl-(2-methyl-2-piperidin-3-ylpropanoyl)amino]propanoic acid?
The InChIKey is MMIWGJRILDQIAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-15(2,3)18(10-8-13(19)20)14(21)16(4,5)12-7-6-9-17-11-12/h12,17H,6-11H2,1-5H3,(H,19,20).
What are the key properties of 3-[tert-butyl-(2-methyl-2-piperidin-3-ylpropanoyl)amino]propanoic acid?
3-[tert-butyl-(2-methyl-2-piperidin-3-ylpropanoyl)amino]propanoic acid has a molecular weight of 298.43 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl-(2-methyl-2-piperidin-3-ylpropanoyl)amino]propanoic acid is sourced from PubChem (CID 83198568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).