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

C17H30N2O4 — CID 119188599

IUPAC4-methyl-2-[[1-(2-methylbutanoyl)piperidine-3-carbonyl]amino]pentanoic acid
SMILESCCC(C)C(=O)N1CCCC(C(=O)NC(CC(C)C)C(=O)O)C1
InChIInChI=1S/C17H30N2O4/c1-5-12(4)16(21)19-8-6-7-13(10-19)15(20)18-14(17(22)23)9-11(2)3/h11-14H,5-10H2,1-4H3,(H,18,20)(H,22,23)
InChIKeyHGHCPBFQPWGSKC-UHFFFAOYSA-N
MW326.44 g/mol
LogP1.89
Rot. Bonds7

About 4-methyl-2-[[1-(2-methylbutanoyl)piperidine-3-carbonyl]amino]pentanoic acid

4-methyl-2-[[1-(2-methylbutanoyl)piperidine-3-carbonyl]amino]pentanoic acid (PubChem CID 119188599) has the molecular formula C17H30N2O4 and a molecular weight of 326.44 g/mol. Its IUPAC name is 4-methyl-2-[[1-(2-methylbutanoyl)piperidine-3-carbonyl]amino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-[[1-(2-methylbutanoyl)piperidine-3-carbonyl]amino]pentanoic acid
PubChem CID119188599
Molecular FormulaC17H30N2O4
Molecular Weight326.44 g/mol
Exact Mass326.22
IUPAC Name4-methyl-2-[[1-(2-methylbutanoyl)piperidine-3-carbonyl]amino]pentanoic acid
SMILESCCC(C)C(=O)N1CCCC(C(=O)NC(CC(C)C)C(=O)O)C1
InChIInChI=1S/C17H30N2O4/c1-5-12(4)16(21)19-8-6-7-13(10-19)15(20)18-14(17(22)23)9-11(2)3/h11-14H,5-10H2,1-4H3,(H,18,20)(H,22,23)
InChIKeyHGHCPBFQPWGSKC-UHFFFAOYSA-N
XLogP1.89
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 ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-methyl-2-[[1-(2-methylbutanoyl)piperidine-3-carbonyl]amino]pentanoic acid with MolForge

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Related Compounds

(2R)-4-methyl-2-[[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]amino]pentanoic acid
CID 119364788
(2R)-2-[(1-butanoylpiperidine-3-carbonyl)amino]-4-methylpentanoic acid
CID 119363635
(3S)-1-(2-methylbutanoyl)piperidine-3-carboxylic acid
CID 81120837
2-(cyclooctanecarbonylamino)-4-methylpentanoic acid
CID 65018915
(2S)-2-(cycloheptanecarbonylamino)-4-methylpentanoic acid
CID 22872515
(2R)-4-methyl-2-[[1-(2-phenylacetyl)piperidine-3-carbonyl]amino]pentanoic acid
CID 119363661
(2R)-4-methyl-2-[(1-methylsulfonylpiperidine-3-carbonyl)amino]pentanoic acid
CID 78975931
(2S)-2-[(3-carbamoylpiperidine-1-carbonyl)amino]-4-methylpentanoic acid
CID 61185431
(3R)-N-ethyl-1-[(2R)-2-methylpentanoyl]piperidine-3-carboxamide
CID 95318260
(3R)-1-[2-(carbamoylamino)-4-methylpentanoyl]piperidine-3-carboxylic acid
CID 81119735
2-[[1-(dimethylcarbamoyl)piperidine-3-carbonyl]amino]pentanoic acid
CID 43630634
N-(4-aminocyclohexyl)-1-(2-methylbutanoyl)piperidine-3-carboxamide;hydrochloride
CID 119475324

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[1-(2-methylbutanoyl)piperidine-3-carbonyl]amino]pentanoic acid?
The IUPAC name of 4-methyl-2-[[1-(2-methylbutanoyl)piperidine-3-carbonyl]amino]pentanoic acid (CID 119188599) is 4-methyl-2-[[1-(2-methylbutanoyl)piperidine-3-carbonyl]amino]pentanoic acid.
What is the SMILES notation for 4-methyl-2-[[1-(2-methylbutanoyl)piperidine-3-carbonyl]amino]pentanoic acid?
The canonical SMILES for 4-methyl-2-[[1-(2-methylbutanoyl)piperidine-3-carbonyl]amino]pentanoic acid is CCC(C)C(=O)N1CCCC(C(=O)NC(CC(C)C)C(=O)O)C1.
What is the InChIKey of 4-methyl-2-[[1-(2-methylbutanoyl)piperidine-3-carbonyl]amino]pentanoic acid?
The InChIKey is HGHCPBFQPWGSKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O4/c1-5-12(4)16(21)19-8-6-7-13(10-19)15(20)18-14(17(22)23)9-11(2)3/h11-14H,5-10H2,1-4H3,(H,18,20)(H,22,23).
What are the key properties of 4-methyl-2-[[1-(2-methylbutanoyl)piperidine-3-carbonyl]amino]pentanoic acid?
4-methyl-2-[[1-(2-methylbutanoyl)piperidine-3-carbonyl]amino]pentanoic acid has a molecular weight of 326.44 g/mol, XLogP of 1.89, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[1-(2-methylbutanoyl)piperidine-3-carbonyl]amino]pentanoic acid is sourced from PubChem (CID 119188599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).