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

C14H25N3O4 — CID 61440018

IUPAC3-methyl-2-[[4-(methylcarbamoyl)piperidine-1-carbonyl]amino]pentanoic acid
SMILESCCC(C)C(NC(=O)N1CCC(C(=O)NC)CC1)C(=O)O
InChIInChI=1S/C14H25N3O4/c1-4-9(2)11(13(19)20)16-14(21)17-7-5-10(6-8-17)12(18)15-3/h9-11H,4-8H2,1-3H3,(H,15,18)(H,16,21)(H,19,20)
InChIKeyZPQFYFDCEOCKFU-UHFFFAOYSA-N
MW299.37 g/mol
LogP0.65
Rot. Bonds5

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

3-methyl-2-[[4-(methylcarbamoyl)piperidine-1-carbonyl]amino]pentanoic acid (PubChem CID 61440018) has the molecular formula C14H25N3O4 and a molecular weight of 299.37 g/mol. Its IUPAC name is 3-methyl-2-[[4-(methylcarbamoyl)piperidine-1-carbonyl]amino]pentanoic acid.

Molecular Properties

Compound Name3-methyl-2-[[4-(methylcarbamoyl)piperidine-1-carbonyl]amino]pentanoic acid
PubChem CID61440018
Molecular FormulaC14H25N3O4
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC Name3-methyl-2-[[4-(methylcarbamoyl)piperidine-1-carbonyl]amino]pentanoic acid
SMILESCCC(C)C(NC(=O)N1CCC(C(=O)NC)CC1)C(=O)O
InChIInChI=1S/C14H25N3O4/c1-4-9(2)11(13(19)20)16-14(21)17-7-5-10(6-8-17)12(18)15-3/h9-11H,4-8H2,1-3H3,(H,15,18)(H,16,21)(H,19,20)
InChIKeyZPQFYFDCEOCKFU-UHFFFAOYSA-N
XLogP0.65
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-3-methyl-2-[[4-(methylcarbamoyl)piperidine-1-carbonyl]amino]pentanoic acid
CID 61440255
(2S)-3-methyl-2-[(4-propan-2-ylpiperidine-1-carbonyl)amino]pentanoic acid
CID 103500332
(2R,3S)-3-methyl-2-(pyrrolidine-1-carbonylamino)pentanoic acid
CID 51420775
(2S,3S)-2-[(4-aminopiperidine-1-carbonyl)amino]-3-methylpentanoic acid
CID 61402964
(2S)-2-[(4-ethylpiperidine-1-carbonyl)amino]-3-methylpentanoic acid
CID 61422004
(2S)-2-[(4,4-dimethylpiperidine-1-carbonyl)amino]-3-methylpentanoic acid
CID 62931544
3-methyl-2-(piperazine-1-carbonylamino)pentanoic acid
CID 61405662
(2S)-2-[[4-(methylcarbamoyl)piperidine-1-carbonyl]amino]pentanoic acid
CID 107566429
3,3-dimethyl-2-[[4-(methylcarbamoyl)piperidine-1-carbonyl]amino]butanoic acid
CID 61440254
(2S)-3-methyl-2-(1,4-thiazepane-4-carbonylamino)pentanoic acid
CID 61423283
(2S,3S)-3-methyl-2-[(4-methylsulfonylpiperazine-1-carbonyl)amino]pentanoic acid
CID 62992431
2-(cyclooctanecarbonylamino)-3-methylpentanoic acid
CID 65019151

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[[4-(methylcarbamoyl)piperidine-1-carbonyl]amino]pentanoic acid?
The IUPAC name of 3-methyl-2-[[4-(methylcarbamoyl)piperidine-1-carbonyl]amino]pentanoic acid (CID 61440018) is 3-methyl-2-[[4-(methylcarbamoyl)piperidine-1-carbonyl]amino]pentanoic acid.
What is the SMILES notation for 3-methyl-2-[[4-(methylcarbamoyl)piperidine-1-carbonyl]amino]pentanoic acid?
The canonical SMILES for 3-methyl-2-[[4-(methylcarbamoyl)piperidine-1-carbonyl]amino]pentanoic acid is CCC(C)C(NC(=O)N1CCC(C(=O)NC)CC1)C(=O)O.
What is the InChIKey of 3-methyl-2-[[4-(methylcarbamoyl)piperidine-1-carbonyl]amino]pentanoic acid?
The InChIKey is ZPQFYFDCEOCKFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O4/c1-4-9(2)11(13(19)20)16-14(21)17-7-5-10(6-8-17)12(18)15-3/h9-11H,4-8H2,1-3H3,(H,15,18)(H,16,21)(H,19,20).
What are the key properties of 3-methyl-2-[[4-(methylcarbamoyl)piperidine-1-carbonyl]amino]pentanoic acid?
3-methyl-2-[[4-(methylcarbamoyl)piperidine-1-carbonyl]amino]pentanoic acid has a molecular weight of 299.37 g/mol, XLogP of 0.65, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[[4-(methylcarbamoyl)piperidine-1-carbonyl]amino]pentanoic acid is sourced from PubChem (CID 61440018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).