4-methyl-5-[[2-(methylcarbamoyl)piperidine-1-carbonyl]amino]pentanoic acid

C14H25N3O4 — CID 82014862

IUPAC4-methyl-5-[[2-(methylcarbamoyl)piperidine-1-carbonyl]amino]pentanoic acid
SMILESCNC(=O)C1CCCCN1C(=O)NCC(C)CCC(=O)O
InChIInChI=1S/C14H25N3O4/c1-10(6-7-12(18)19)9-16-14(21)17-8-4-3-5-11(17)13(20)15-2/h10-11H,3-9H2,1-2H3,(H,15,20)(H,16,21)(H,18,19)
InChIKeyVLSGWPRFYCRNGP-UHFFFAOYSA-N
MW299.37 g/mol
LogP0.80
Rot. Bonds6

About 4-methyl-5-[[2-(methylcarbamoyl)piperidine-1-carbonyl]amino]pentanoic acid

4-methyl-5-[[2-(methylcarbamoyl)piperidine-1-carbonyl]amino]pentanoic acid (PubChem CID 82014862) has the molecular formula C14H25N3O4 and a molecular weight of 299.37 g/mol. Its IUPAC name is 4-methyl-5-[[2-(methylcarbamoyl)piperidine-1-carbonyl]amino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-5-[[2-(methylcarbamoyl)piperidine-1-carbonyl]amino]pentanoic acid
PubChem CID82014862
Molecular FormulaC14H25N3O4
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC Name4-methyl-5-[[2-(methylcarbamoyl)piperidine-1-carbonyl]amino]pentanoic acid
SMILESCNC(=O)C1CCCCN1C(=O)NCC(C)CCC(=O)O
InChIInChI=1S/C14H25N3O4/c1-10(6-7-12(18)19)9-16-14(21)17-8-4-3-5-11(17)13(20)15-2/h10-11H,3-9H2,1-2H3,(H,15,20)(H,16,21)(H,18,19)
InChIKeyVLSGWPRFYCRNGP-UHFFFAOYSA-N
XLogP0.80
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-N-(2,2-diphenylethyl)-2-N-methylpiperidine-1,2-dicarboxamide
CID 126433792
5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carbonylamino)-4-methylpentanoic acid
CID 82014108
4-methyl-5-(piperidine-1-carbonylamino)pentanoic acid
CID 82682716
2-hydroxy-2-methyl-3-[[2-(methylcarbamoyl)piperidine-1-carbonyl]amino]propanoic acid
CID 66175944
5-(cyclopropanecarbonylamino)-4-methylpentanoic acid
CID 82010371
4-methyl-5-[(3-methylpiperidine-1-carbonyl)amino]pentanoic acid
CID 82682847
N-methyl-1-(2-sulfanylpropanoyl)piperidine-2-carboxamide
CID 107026107
4-methyl-5-[(4-propan-2-ylazepane-1-carbonyl)amino]pentanoic acid
CID 82014265
(2S)-2-[[2-(methylcarbamoyl)piperidine-1-carbonyl]amino]hexanoic acid
CID 107145793
4-methyl-5-[(3-propan-2-ylpyrrolidine-1-carbonyl)amino]pentanoic acid
CID 113418247
(2S)-1-[(2-methyl-3-methylsulfanylpropyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 78955144
2-[[2-(methylcarbamoyl)piperidine-1-carbonyl]-(2-methylpropyl)amino]acetic acid
CID 63065974

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[[2-(methylcarbamoyl)piperidine-1-carbonyl]amino]pentanoic acid?
The IUPAC name of 4-methyl-5-[[2-(methylcarbamoyl)piperidine-1-carbonyl]amino]pentanoic acid (CID 82014862) is 4-methyl-5-[[2-(methylcarbamoyl)piperidine-1-carbonyl]amino]pentanoic acid.
What is the SMILES notation for 4-methyl-5-[[2-(methylcarbamoyl)piperidine-1-carbonyl]amino]pentanoic acid?
The canonical SMILES for 4-methyl-5-[[2-(methylcarbamoyl)piperidine-1-carbonyl]amino]pentanoic acid is CNC(=O)C1CCCCN1C(=O)NCC(C)CCC(=O)O.
What is the InChIKey of 4-methyl-5-[[2-(methylcarbamoyl)piperidine-1-carbonyl]amino]pentanoic acid?
The InChIKey is VLSGWPRFYCRNGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O4/c1-10(6-7-12(18)19)9-16-14(21)17-8-4-3-5-11(17)13(20)15-2/h10-11H,3-9H2,1-2H3,(H,15,20)(H,16,21)(H,18,19).
What are the key properties of 4-methyl-5-[[2-(methylcarbamoyl)piperidine-1-carbonyl]amino]pentanoic acid?
4-methyl-5-[[2-(methylcarbamoyl)piperidine-1-carbonyl]amino]pentanoic acid has a molecular weight of 299.37 g/mol, XLogP of 0.80, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[[2-(methylcarbamoyl)piperidine-1-carbonyl]amino]pentanoic acid is sourced from PubChem (CID 82014862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).