2-methyl-2-[[1-(2-methylbutanoyl)piperidine-3-carbonyl]amino]pentanoic acid

C17H30N2O4 — CID 119192353

IUPAC2-methyl-2-[[1-(2-methylbutanoyl)piperidine-3-carbonyl]amino]pentanoic acid
SMILESCCCC(C)(NC(=O)C1CCCN(C(=O)C(C)CC)C1)C(=O)O
InChIInChI=1S/C17H30N2O4/c1-5-9-17(4,16(22)23)18-14(20)13-8-7-10-19(11-13)15(21)12(3)6-2/h12-13H,5-11H2,1-4H3,(H,18,20)(H,22,23)
InChIKeyGFPPQYAWYOMPSN-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.03
Rot. Bonds7

About 2-methyl-2-[[1-(2-methylbutanoyl)piperidine-3-carbonyl]amino]pentanoic acid

2-methyl-2-[[1-(2-methylbutanoyl)piperidine-3-carbonyl]amino]pentanoic acid (PubChem CID 119192353) has the molecular formula C17H30N2O4 and a molecular weight of 326.44 g/mol. Its IUPAC name is 2-methyl-2-[[1-(2-methylbutanoyl)piperidine-3-carbonyl]amino]pentanoic acid.

Molecular Properties

Compound Name2-methyl-2-[[1-(2-methylbutanoyl)piperidine-3-carbonyl]amino]pentanoic acid
PubChem CID119192353
Molecular FormulaC17H30N2O4
Molecular Weight326.44 g/mol
Exact Mass326.22
IUPAC Name2-methyl-2-[[1-(2-methylbutanoyl)piperidine-3-carbonyl]amino]pentanoic acid
SMILESCCCC(C)(NC(=O)C1CCCN(C(=O)C(C)CC)C1)C(=O)O
InChIInChI=1S/C17H30N2O4/c1-5-9-17(4,16(22)23)18-14(20)13-8-7-10-19(11-13)15(21)12(3)6-2/h12-13H,5-11H2,1-4H3,(H,18,20)(H,22,23)
InChIKeyGFPPQYAWYOMPSN-UHFFFAOYSA-N
XLogP2.03
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.03
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-[(1-butanoylpiperidine-3-carbonyl)amino]-2-methylpentanoic acid
CID 119192417
2-methyl-2-[[1-(phenylcarbamoyl)piperidine-3-carbonyl]amino]pentanoic acid
CID 119191915
2-[(1-carbamoylpiperidine-3-carbonyl)amino]-2-methylbutanoic acid
CID 79792508
(3S)-1-(2-methylbutanoyl)piperidine-3-carboxylic acid
CID 81120837
(3R)-N-ethyl-1-[(2R)-2-methylpentanoyl]piperidine-3-carboxamide
CID 95318260
(3S)-1-[(2R)-2-methylpentanoyl]piperidine-3-carboxylic acid
CID 28734803
4-methyl-2-[[1-(2-methylbutanoyl)piperidine-3-carbonyl]amino]pentanoic acid
CID 119188599
2-[2-[[1-(2-methylbutanoyl)piperidine-3-carbonyl]amino]ethylsulfanyl]acetic acid
CID 119242528
cis-(1R,3S)-3-[[1-(2-methylbutanoyl)piperidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120678615
2-(azepane-1-carbonylamino)-2-methylpentanoic acid
CID 61188531
N-(3-hydroxy-4-methylpentyl)-1-(2-methylbutanoyl)piperidine-3-carboxamide
CID 111460809

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[1-(2-methylbutanoyl)piperidine-3-carbonyl]amino]pentanoic acid?
The IUPAC name of 2-methyl-2-[[1-(2-methylbutanoyl)piperidine-3-carbonyl]amino]pentanoic acid (CID 119192353) is 2-methyl-2-[[1-(2-methylbutanoyl)piperidine-3-carbonyl]amino]pentanoic acid.
What is the SMILES notation for 2-methyl-2-[[1-(2-methylbutanoyl)piperidine-3-carbonyl]amino]pentanoic acid?
The canonical SMILES for 2-methyl-2-[[1-(2-methylbutanoyl)piperidine-3-carbonyl]amino]pentanoic acid is CCCC(C)(NC(=O)C1CCCN(C(=O)C(C)CC)C1)C(=O)O.
What is the InChIKey of 2-methyl-2-[[1-(2-methylbutanoyl)piperidine-3-carbonyl]amino]pentanoic acid?
The InChIKey is GFPPQYAWYOMPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O4/c1-5-9-17(4,16(22)23)18-14(20)13-8-7-10-19(11-13)15(21)12(3)6-2/h12-13H,5-11H2,1-4H3,(H,18,20)(H,22,23).
What are the key properties of 2-methyl-2-[[1-(2-methylbutanoyl)piperidine-3-carbonyl]amino]pentanoic acid?
2-methyl-2-[[1-(2-methylbutanoyl)piperidine-3-carbonyl]amino]pentanoic acid has a molecular weight of 326.44 g/mol, XLogP of 2.03, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[1-(2-methylbutanoyl)piperidine-3-carbonyl]amino]pentanoic acid is sourced from PubChem (CID 119192353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).