2-[[1-(2-methylbutanoyl)piperidine-3-carbonyl]-(2-methylpropyl)amino]acetic acid

C17H30N2O4 — CID 119193357

IUPAC2-[[1-(2-methylbutanoyl)piperidine-3-carbonyl]-(2-methylpropyl)amino]acetic acid
SMILESCCC(C)C(=O)N1CCCC(C(=O)N(CC(=O)O)CC(C)C)C1
InChIInChI=1S/C17H30N2O4/c1-5-13(4)16(22)18-8-6-7-14(10-18)17(23)19(9-12(2)3)11-15(20)21/h12-14H,5-11H2,1-4H3,(H,20,21)
InChIKeyLRRHSPWBURDUTC-UHFFFAOYSA-N
MW326.44 g/mol
LogP1.84
Rot. Bonds7

About 2-[[1-(2-methylbutanoyl)piperidine-3-carbonyl]-(2-methylpropyl)amino]acetic acid

2-[[1-(2-methylbutanoyl)piperidine-3-carbonyl]-(2-methylpropyl)amino]acetic acid (PubChem CID 119193357) has the molecular formula C17H30N2O4 and a molecular weight of 326.44 g/mol. Its IUPAC name is 2-[[1-(2-methylbutanoyl)piperidine-3-carbonyl]-(2-methylpropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[1-(2-methylbutanoyl)piperidine-3-carbonyl]-(2-methylpropyl)amino]acetic acid
PubChem CID119193357
Molecular FormulaC17H30N2O4
Molecular Weight326.44 g/mol
Exact Mass326.22
IUPAC Name2-[[1-(2-methylbutanoyl)piperidine-3-carbonyl]-(2-methylpropyl)amino]acetic acid
SMILESCCC(C)C(=O)N1CCCC(C(=O)N(CC(=O)O)CC(C)C)C1
InChIInChI=1S/C17H30N2O4/c1-5-13(4)16(22)18-8-6-7-14(10-18)17(23)19(9-12(2)3)11-15(20)21/h12-14H,5-11H2,1-4H3,(H,20,21)
InChIKeyLRRHSPWBURDUTC-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

2-[methyl-[1-(2-methylbutanoyl)piperidine-3-carbonyl]amino]acetic acid
CID 119172432
(3S)-1-(2-methylbutanoyl)piperidine-3-carboxylic acid
CID 81120837
3-[methyl-[1-(2-methylbutanoyl)piperidine-3-carbonyl]amino]propanoic acid
CID 119233185
2-[(3-carbamoylpiperidine-1-carbonyl)-(2-methylpropyl)amino]acetic acid
CID 63066843
2-[2-methylpropyl-(1-methylpyrrolidine-3-carbonyl)amino]acetic acid
CID 63072028
3-[(1-butanoylpiperidine-3-carbonyl)-(2-methylpropyl)amino]propanoic acid
CID 119190750
2-[[1-(diethylcarbamoyl)piperidine-3-carbonyl]-propylamino]acetic acid
CID 75383592
2-[[1-(dimethylcarbamoyl)piperidine-3-carbonyl]-propylamino]acetic acid
CID 61013155
4-methyl-2-[[1-(2-methylbutanoyl)piperidine-3-carbonyl]amino]pentanoic acid
CID 119188599
2-[(3-ethylpiperidine-1-carbonyl)-(2-methylpropyl)amino]acetic acid
CID 63064381
2-[(1-carbamoylpiperidine-3-carbonyl)-propylamino]acetic acid
CID 61007347
2-[(1-ethylsulfonylpiperidine-4-carbonyl)-(2-methylpropyl)amino]acetic acid
CID 119192749

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-methylbutanoyl)piperidine-3-carbonyl]-(2-methylpropyl)amino]acetic acid?
The IUPAC name of 2-[[1-(2-methylbutanoyl)piperidine-3-carbonyl]-(2-methylpropyl)amino]acetic acid (CID 119193357) is 2-[[1-(2-methylbutanoyl)piperidine-3-carbonyl]-(2-methylpropyl)amino]acetic acid.
What is the SMILES notation for 2-[[1-(2-methylbutanoyl)piperidine-3-carbonyl]-(2-methylpropyl)amino]acetic acid?
The canonical SMILES for 2-[[1-(2-methylbutanoyl)piperidine-3-carbonyl]-(2-methylpropyl)amino]acetic acid is CCC(C)C(=O)N1CCCC(C(=O)N(CC(=O)O)CC(C)C)C1.
What is the InChIKey of 2-[[1-(2-methylbutanoyl)piperidine-3-carbonyl]-(2-methylpropyl)amino]acetic acid?
The InChIKey is LRRHSPWBURDUTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O4/c1-5-13(4)16(22)18-8-6-7-14(10-18)17(23)19(9-12(2)3)11-15(20)21/h12-14H,5-11H2,1-4H3,(H,20,21).
What are the key properties of 2-[[1-(2-methylbutanoyl)piperidine-3-carbonyl]-(2-methylpropyl)amino]acetic acid?
2-[[1-(2-methylbutanoyl)piperidine-3-carbonyl]-(2-methylpropyl)amino]acetic 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 2-[[1-(2-methylbutanoyl)piperidine-3-carbonyl]-(2-methylpropyl)amino]acetic acid is sourced from PubChem (CID 119193357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).