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

C16H28N2O4 — CID 119192417

IUPAC2-[(1-butanoylpiperidine-3-carbonyl)amino]-2-methylpentanoic acid
SMILESCCCC(=O)N1CCCC(C(=O)NC(C)(CCC)C(=O)O)C1
InChIInChI=1S/C16H28N2O4/c1-4-7-13(19)18-10-6-8-12(11-18)14(20)17-16(3,9-5-2)15(21)22/h12H,4-11H2,1-3H3,(H,17,20)(H,21,22)
InChIKeyOMFGNDCYGGVVCS-UHFFFAOYSA-N
MW312.41 g/mol
LogP1.78
Rot. Bonds7

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

2-[(1-butanoylpiperidine-3-carbonyl)amino]-2-methylpentanoic acid (PubChem CID 119192417) has the molecular formula C16H28N2O4 and a molecular weight of 312.41 g/mol. Its IUPAC name is 2-[(1-butanoylpiperidine-3-carbonyl)amino]-2-methylpentanoic acid.

Molecular Properties

Compound Name2-[(1-butanoylpiperidine-3-carbonyl)amino]-2-methylpentanoic acid
PubChem CID119192417
Molecular FormulaC16H28N2O4
Molecular Weight312.41 g/mol
Exact Mass312.20
IUPAC Name2-[(1-butanoylpiperidine-3-carbonyl)amino]-2-methylpentanoic acid
SMILESCCCC(=O)N1CCCC(C(=O)NC(C)(CCC)C(=O)O)C1
InChIInChI=1S/C16H28N2O4/c1-4-7-13(19)18-10-6-8-12(11-18)14(20)17-16(3,9-5-2)15(21)22/h12H,4-11H2,1-3H3,(H,17,20)(H,21,22)
InChIKeyOMFGNDCYGGVVCS-UHFFFAOYSA-N
XLogP1.78
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-carbamoylpiperidine-3-carbonyl)amino]-2-methylpentanoic acid
CID 43618865
2-methyl-2-[[1-(2-methylbutanoyl)piperidine-3-carbonyl]amino]pentanoic acid
CID 119192353
2-methyl-2-[[1-(phenylcarbamoyl)piperidine-3-carbonyl]amino]pentanoic acid
CID 119191915
N-(2-amino-2-methylpropyl)-1-butanoylpiperidine-3-carboxamide
CID 119629275
2-[(1-carbamoylpiperidine-3-carbonyl)amino]-2-methylbutanoic acid
CID 79792508
2-(azepane-1-carbonylamino)-2-methylpentanoic acid
CID 61188531
2-methyl-2-(oxane-3-carbonylamino)pentanoic acid
CID 62759574
2-[2-[(1-butanoylpiperidine-3-carbonyl)amino]ethylsulfanyl]acetic acid
CID 119242681
(2S)-2-[(1-butanoylpiperidine-3-carbonyl)amino]hexanoic acid
CID 120614310
cis-(1S,3R)-3-[(1-butanoylpiperidine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120675880
(2S)-2-[[(3S)-1-butanoylpiperidine-3-carbonyl]amino]heptanoic acid
CID 97337442
methyl 3-[(1-butanoylpiperidine-3-carbonyl)amino]propanoate
CID 60527593

Frequently Asked Questions

What is the IUPAC name of 2-[(1-butanoylpiperidine-3-carbonyl)amino]-2-methylpentanoic acid?
The IUPAC name of 2-[(1-butanoylpiperidine-3-carbonyl)amino]-2-methylpentanoic acid (CID 119192417) is 2-[(1-butanoylpiperidine-3-carbonyl)amino]-2-methylpentanoic acid.
What is the SMILES notation for 2-[(1-butanoylpiperidine-3-carbonyl)amino]-2-methylpentanoic acid?
The canonical SMILES for 2-[(1-butanoylpiperidine-3-carbonyl)amino]-2-methylpentanoic acid is CCCC(=O)N1CCCC(C(=O)NC(C)(CCC)C(=O)O)C1.
What is the InChIKey of 2-[(1-butanoylpiperidine-3-carbonyl)amino]-2-methylpentanoic acid?
The InChIKey is OMFGNDCYGGVVCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O4/c1-4-7-13(19)18-10-6-8-12(11-18)14(20)17-16(3,9-5-2)15(21)22/h12H,4-11H2,1-3H3,(H,17,20)(H,21,22).
What are the key properties of 2-[(1-butanoylpiperidine-3-carbonyl)amino]-2-methylpentanoic acid?
2-[(1-butanoylpiperidine-3-carbonyl)amino]-2-methylpentanoic acid has a molecular weight of 312.41 g/mol, XLogP of 1.78, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-butanoylpiperidine-3-carbonyl)amino]-2-methylpentanoic acid is sourced from PubChem (CID 119192417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).