3-[[1-(2-methylpropanoyl)piperidine-4-carbonyl]-(2-methylpropyl)amino]propanoic acid

C17H30N2O4 — CID 119190523

IUPAC3-[[1-(2-methylpropanoyl)piperidine-4-carbonyl]-(2-methylpropyl)amino]propanoic acid
SMILESCC(C)CN(CCC(=O)O)C(=O)C1CCN(C(=O)C(C)C)CC1
InChIInChI=1S/C17H30N2O4/c1-12(2)11-19(10-7-15(20)21)17(23)14-5-8-18(9-6-14)16(22)13(3)4/h12-14H,5-11H2,1-4H3,(H,20,21)
InChIKeyMCYQYJWAEFBNPS-UHFFFAOYSA-N
MW326.44 g/mol
LogP1.84
Rot. Bonds7

About 3-[[1-(2-methylpropanoyl)piperidine-4-carbonyl]-(2-methylpropyl)amino]propanoic acid

3-[[1-(2-methylpropanoyl)piperidine-4-carbonyl]-(2-methylpropyl)amino]propanoic acid (PubChem CID 119190523) has the molecular formula C17H30N2O4 and a molecular weight of 326.44 g/mol. Its IUPAC name is 3-[[1-(2-methylpropanoyl)piperidine-4-carbonyl]-(2-methylpropyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[[1-(2-methylpropanoyl)piperidine-4-carbonyl]-(2-methylpropyl)amino]propanoic acid
PubChem CID119190523
Molecular FormulaC17H30N2O4
Molecular Weight326.44 g/mol
Exact Mass326.22
IUPAC Name3-[[1-(2-methylpropanoyl)piperidine-4-carbonyl]-(2-methylpropyl)amino]propanoic acid
SMILESCC(C)CN(CCC(=O)O)C(=O)C1CCN(C(=O)C(C)C)CC1
InChIInChI=1S/C17H30N2O4/c1-12(2)11-19(10-7-15(20)21)17(23)14-5-8-18(9-6-14)16(22)13(3)4/h12-14H,5-11H2,1-4H3,(H,20,21)
InChIKeyMCYQYJWAEFBNPS-UHFFFAOYSA-N
XLogP1.84
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[ethyl-[1-(2-methylpropanoyl)piperidine-4-carbonyl]amino]propanoic acid
CID 61006656
N,N-bis(2-hydroxyethyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 61235088
3-[(1-butanoylpiperidine-3-carbonyl)-(2-methylpropyl)amino]propanoic acid
CID 119190750
N-ethyl-N-(3-hydroxypropyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 115771580
3-[cyclohex-3-ene-1-carbonyl(2-methylpropyl)amino]propanoic acid
CID 119189963
3-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)-(2-methylpropyl)amino]propanoic acid
CID 119190271
6-[[1-(2-methylpropanoyl)piperidine-4-carbonyl]amino]hexanoic acid
CID 119220092
2-[cyclopropyl-[1-(2-methylpropanoyl)piperidine-4-carbonyl]amino]propanoic acid
CID 119203133
3-[2-methylpropyl-[(2S)-oxolane-2-carbonyl]amino]propanoic acid
CID 95538874
2-[(1-ethylsulfonylpiperidine-4-carbonyl)-(2-methylpropyl)amino]acetic acid
CID 119192749
2-[2-methylpropyl-(1-methylpyrrolidine-3-carbonyl)amino]acetic acid
CID 63072028
N,N-diethyl-1-(2-ethylbutanoyl)piperidine-4-carboxamide
CID 113005259

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(2-methylpropanoyl)piperidine-4-carbonyl]-(2-methylpropyl)amino]propanoic acid?
The IUPAC name of 3-[[1-(2-methylpropanoyl)piperidine-4-carbonyl]-(2-methylpropyl)amino]propanoic acid (CID 119190523) is 3-[[1-(2-methylpropanoyl)piperidine-4-carbonyl]-(2-methylpropyl)amino]propanoic acid.
What is the SMILES notation for 3-[[1-(2-methylpropanoyl)piperidine-4-carbonyl]-(2-methylpropyl)amino]propanoic acid?
The canonical SMILES for 3-[[1-(2-methylpropanoyl)piperidine-4-carbonyl]-(2-methylpropyl)amino]propanoic acid is CC(C)CN(CCC(=O)O)C(=O)C1CCN(C(=O)C(C)C)CC1.
What is the InChIKey of 3-[[1-(2-methylpropanoyl)piperidine-4-carbonyl]-(2-methylpropyl)amino]propanoic acid?
The InChIKey is MCYQYJWAEFBNPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O4/c1-12(2)11-19(10-7-15(20)21)17(23)14-5-8-18(9-6-14)16(22)13(3)4/h12-14H,5-11H2,1-4H3,(H,20,21).
What are the key properties of 3-[[1-(2-methylpropanoyl)piperidine-4-carbonyl]-(2-methylpropyl)amino]propanoic acid?
3-[[1-(2-methylpropanoyl)piperidine-4-carbonyl]-(2-methylpropyl)amino]propanoic acid has a molecular weight of 326.44 g/mol, XLogP of 1.84, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(2-methylpropanoyl)piperidine-4-carbonyl]-(2-methylpropyl)amino]propanoic acid is sourced from PubChem (CID 119190523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).