3-methyl-2-(piperazine-1-carbonylamino)pentanoic acid

C11H21N3O3 — CID 61405662

IUPAC3-methyl-2-(piperazine-1-carbonylamino)pentanoic acid
SMILESCCC(C)C(NC(=O)N1CCNCC1)C(=O)O
InChIInChI=1S/C11H21N3O3/c1-3-8(2)9(10(15)16)13-11(17)14-6-4-12-5-7-14/h8-9,12H,3-7H2,1-2H3,(H,13,17)(H,15,16)
InChIKeyWMUXGWXVOQHMAB-UHFFFAOYSA-N
MW243.31 g/mol
LogP0.10
Rot. Bonds4

About 3-methyl-2-(piperazine-1-carbonylamino)pentanoic acid

3-methyl-2-(piperazine-1-carbonylamino)pentanoic acid (PubChem CID 61405662) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is 3-methyl-2-(piperazine-1-carbonylamino)pentanoic acid.

Molecular Properties

Compound Name3-methyl-2-(piperazine-1-carbonylamino)pentanoic acid
PubChem CID61405662
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Name3-methyl-2-(piperazine-1-carbonylamino)pentanoic acid
SMILESCCC(C)C(NC(=O)N1CCNCC1)C(=O)O
InChIInChI=1S/C11H21N3O3/c1-3-8(2)9(10(15)16)13-11(17)14-6-4-12-5-7-14/h8-9,12H,3-7H2,1-2H3,(H,13,17)(H,15,16)
InChIKeyWMUXGWXVOQHMAB-UHFFFAOYSA-N
XLogP0.10
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3S)-3-methyl-2-(pyrrolidine-1-carbonylamino)pentanoic acid
CID 51420775
(2S)-3-methyl-2-[(4-propan-2-ylpiperidine-1-carbonyl)amino]pentanoic acid
CID 103500332
(2S)-2-[(4,4-dimethylpiperidine-1-carbonyl)amino]-3-methylpentanoic acid
CID 62931544
(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)-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
(2S,3S)-3-methyl-2-[(2-methyl-2-piperazin-1-ylpropanoyl)amino]pentanoic acid
CID 80548885
(2R)-2-(piperazine-1-carbonylamino)propanoic acid
CID 78972178
(2S)-3-methyl-2-[[4-(methylcarbamoyl)piperidine-1-carbonyl]amino]pentanoic acid
CID 61440255
3-methyl-2-[[4-(methylcarbamoyl)piperidine-1-carbonyl]amino]pentanoic acid
CID 61440018
(2S)-2-(3,6-dihydro-2H-pyridine-1-carbonylamino)-3-methylpentanoic acid
CID 104921445

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(piperazine-1-carbonylamino)pentanoic acid?
The IUPAC name of 3-methyl-2-(piperazine-1-carbonylamino)pentanoic acid (CID 61405662) is 3-methyl-2-(piperazine-1-carbonylamino)pentanoic acid.
What is the SMILES notation for 3-methyl-2-(piperazine-1-carbonylamino)pentanoic acid?
The canonical SMILES for 3-methyl-2-(piperazine-1-carbonylamino)pentanoic acid is CCC(C)C(NC(=O)N1CCNCC1)C(=O)O.
What is the InChIKey of 3-methyl-2-(piperazine-1-carbonylamino)pentanoic acid?
The InChIKey is WMUXGWXVOQHMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-3-8(2)9(10(15)16)13-11(17)14-6-4-12-5-7-14/h8-9,12H,3-7H2,1-2H3,(H,13,17)(H,15,16).
What are the key properties of 3-methyl-2-(piperazine-1-carbonylamino)pentanoic acid?
3-methyl-2-(piperazine-1-carbonylamino)pentanoic acid has a molecular weight of 243.31 g/mol, XLogP of 0.10, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(piperazine-1-carbonylamino)pentanoic acid is sourced from PubChem (CID 61405662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).