3-[(1-butanoylpiperidine-3-carbonyl)-(2-methylpropyl)amino]propanoic acid

C17H30N2O4 — CID 119190750

IUPAC3-[(1-butanoylpiperidine-3-carbonyl)-(2-methylpropyl)amino]propanoic acid
SMILESCCCC(=O)N1CCCC(C(=O)N(CCC(=O)O)CC(C)C)C1
InChIInChI=1S/C17H30N2O4/c1-4-6-15(20)18-9-5-7-14(12-18)17(23)19(11-13(2)3)10-8-16(21)22/h13-14H,4-12H2,1-3H3,(H,21,22)
InChIKeyAASGMFOZDGSSBA-UHFFFAOYSA-N
MW326.44 g/mol
LogP1.98
Rot. Bonds8

About 3-[(1-butanoylpiperidine-3-carbonyl)-(2-methylpropyl)amino]propanoic acid

3-[(1-butanoylpiperidine-3-carbonyl)-(2-methylpropyl)amino]propanoic acid (PubChem CID 119190750) has the molecular formula C17H30N2O4 and a molecular weight of 326.44 g/mol. Its IUPAC name is 3-[(1-butanoylpiperidine-3-carbonyl)-(2-methylpropyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[(1-butanoylpiperidine-3-carbonyl)-(2-methylpropyl)amino]propanoic acid
PubChem CID119190750
Molecular FormulaC17H30N2O4
Molecular Weight326.44 g/mol
Exact Mass326.22
IUPAC Name3-[(1-butanoylpiperidine-3-carbonyl)-(2-methylpropyl)amino]propanoic acid
SMILESCCCC(=O)N1CCCC(C(=O)N(CCC(=O)O)CC(C)C)C1
InChIInChI=1S/C17H30N2O4/c1-4-6-15(20)18-9-5-7-14(12-18)17(23)19(11-13(2)3)10-8-16(21)22/h13-14H,4-12H2,1-3H3,(H,21,22)
InChIKeyAASGMFOZDGSSBA-UHFFFAOYSA-N
XLogP1.98
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-butanoyl-N-(3-hydroxybutyl)-N-methylpiperidine-3-carboxamide
CID 111695757
N-(3-amino-4-methylpentyl)-1-butanoyl-N-methylpiperidine-3-carboxamide
CID 119660200
(2R)-2-[(1-butanoylpiperidine-3-carbonyl)amino]-4-methylpentanoic acid
CID 119363635
2-[[1-(2-methylbutanoyl)piperidine-3-carbonyl]-(2-methylpropyl)amino]acetic acid
CID 119193357
3-[[1-(2-methylpropanoyl)piperidine-4-carbonyl]-(2-methylpropyl)amino]propanoic acid
CID 119190523
(3R)-1-butanoyl-N-[[(2R)-oxan-2-yl]methyl]-N-propylpiperidine-3-carboxamide
CID 95324158
2-[[1-(dimethylcarbamoyl)piperidine-3-carbonyl]-propylamino]acetic acid
CID 61013155
2-[[1-(diethylcarbamoyl)piperidine-3-carbonyl]-propylamino]acetic acid
CID 75383592
3-[methyl-[1-(2-methylbutanoyl)piperidine-3-carbonyl]amino]propanoic acid
CID 119233185
(3R)-N-ethyl-1-(4-methylpentanoyl)piperidine-3-carboxamide
CID 94884745
3-[[1-(dimethylcarbamoyl)piperidine-3-carbonyl]-methylamino]propanoic acid
CID 60988420
N-(3-aminopropyl)-N-benzyl-1-butanoylpiperidine-3-carboxamide;hydrochloride
CID 120648128

Frequently Asked Questions

What is the IUPAC name of 3-[(1-butanoylpiperidine-3-carbonyl)-(2-methylpropyl)amino]propanoic acid?
The IUPAC name of 3-[(1-butanoylpiperidine-3-carbonyl)-(2-methylpropyl)amino]propanoic acid (CID 119190750) is 3-[(1-butanoylpiperidine-3-carbonyl)-(2-methylpropyl)amino]propanoic acid.
What is the SMILES notation for 3-[(1-butanoylpiperidine-3-carbonyl)-(2-methylpropyl)amino]propanoic acid?
The canonical SMILES for 3-[(1-butanoylpiperidine-3-carbonyl)-(2-methylpropyl)amino]propanoic acid is CCCC(=O)N1CCCC(C(=O)N(CCC(=O)O)CC(C)C)C1.
What is the InChIKey of 3-[(1-butanoylpiperidine-3-carbonyl)-(2-methylpropyl)amino]propanoic acid?
The InChIKey is AASGMFOZDGSSBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O4/c1-4-6-15(20)18-9-5-7-14(12-18)17(23)19(11-13(2)3)10-8-16(21)22/h13-14H,4-12H2,1-3H3,(H,21,22).
What are the key properties of 3-[(1-butanoylpiperidine-3-carbonyl)-(2-methylpropyl)amino]propanoic acid?
3-[(1-butanoylpiperidine-3-carbonyl)-(2-methylpropyl)amino]propanoic acid has a molecular weight of 326.44 g/mol, XLogP of 1.98, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-butanoylpiperidine-3-carbonyl)-(2-methylpropyl)amino]propanoic acid is sourced from PubChem (CID 119190750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).