4-methyl-4-(2-piperidin-1-ylethylcarbamoylamino)pentanoic acid

C14H27N3O3 — CID 62050392

IUPAC4-methyl-4-(2-piperidin-1-ylethylcarbamoylamino)pentanoic acid
SMILESCC(C)(CCC(=O)O)NC(=O)NCCN1CCCCC1
InChIInChI=1S/C14H27N3O3/c1-14(2,7-6-12(18)19)16-13(20)15-8-11-17-9-4-3-5-10-17/h3-11H2,1-2H3,(H,18,19)(H2,15,16,20)
InChIKeyZQNAGDZEERQRHF-UHFFFAOYSA-N
MW285.39 g/mol
LogP1.41
Rot. Bonds7

About 4-methyl-4-(2-piperidin-1-ylethylcarbamoylamino)pentanoic acid

4-methyl-4-(2-piperidin-1-ylethylcarbamoylamino)pentanoic acid (PubChem CID 62050392) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is 4-methyl-4-(2-piperidin-1-ylethylcarbamoylamino)pentanoic acid.

Molecular Properties

Compound Name4-methyl-4-(2-piperidin-1-ylethylcarbamoylamino)pentanoic acid
PubChem CID62050392
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC Name4-methyl-4-(2-piperidin-1-ylethylcarbamoylamino)pentanoic acid
SMILESCC(C)(CCC(=O)O)NC(=O)NCCN1CCCCC1
InChIInChI=1S/C14H27N3O3/c1-14(2,7-6-12(18)19)16-13(20)15-8-11-17-9-4-3-5-10-17/h3-11H2,1-2H3,(H,18,19)(H2,15,16,20)
InChIKeyZQNAGDZEERQRHF-UHFFFAOYSA-N
XLogP1.41
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[4-(azepan-1-yl)-2-methylbutan-2-yl]carbamoylamino]butanoic acid
CID 122022777
4-methyl-4-(propylcarbamoylamino)pentanoic acid
CID 62043521
4-methyl-4-(pent-4-ynylcarbamoylamino)pentanoic acid
CID 106222819
5-[2-(azepan-1-yl)ethylamino]-5-oxopentanoic acid
CID 53211701
4-(2-carbamoyloxyethylcarbamoylamino)-4-methylpentanoic acid
CID 83204394
4-[3-(cyclopropylamino)propylcarbamoylamino]-4-methylpentanoic acid
CID 62050385
2-(2-piperidin-1-ylethylcarbamoylamino)butanoic acid
CID 54967478
3-methyl-3-(3-piperazin-1-ylpropylcarbamoylamino)butanoic acid
CID 64700080
4-methyl-4-(5-methylsulfanylpentylcarbamoylamino)pentanoic acid
CID 114128566
3-methyl-4-(2-piperidin-1-ylethylcarbamoylamino)butanoic acid
CID 81069421
N-[3-(2-piperidin-1-ylethylcarbamoylamino)propyl]acetamide
CID 20736239
4-methyl-4-[(1-methylpiperidin-3-yl)carbamoylamino]pentanoic acid
CID 62049456

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-(2-piperidin-1-ylethylcarbamoylamino)pentanoic acid?
The IUPAC name of 4-methyl-4-(2-piperidin-1-ylethylcarbamoylamino)pentanoic acid (CID 62050392) is 4-methyl-4-(2-piperidin-1-ylethylcarbamoylamino)pentanoic acid.
What is the SMILES notation for 4-methyl-4-(2-piperidin-1-ylethylcarbamoylamino)pentanoic acid?
The canonical SMILES for 4-methyl-4-(2-piperidin-1-ylethylcarbamoylamino)pentanoic acid is CC(C)(CCC(=O)O)NC(=O)NCCN1CCCCC1.
What is the InChIKey of 4-methyl-4-(2-piperidin-1-ylethylcarbamoylamino)pentanoic acid?
The InChIKey is ZQNAGDZEERQRHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3/c1-14(2,7-6-12(18)19)16-13(20)15-8-11-17-9-4-3-5-10-17/h3-11H2,1-2H3,(H,18,19)(H2,15,16,20).
What are the key properties of 4-methyl-4-(2-piperidin-1-ylethylcarbamoylamino)pentanoic acid?
4-methyl-4-(2-piperidin-1-ylethylcarbamoylamino)pentanoic acid has a molecular weight of 285.39 g/mol, XLogP of 1.41, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-(2-piperidin-1-ylethylcarbamoylamino)pentanoic acid is sourced from PubChem (CID 62050392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).