3-hydroxy-3-methyl-4-(piperidin-4-ylcarbamoylamino)butanoic acid

C11H21N3O4 — CID 66003003

IUPAC3-hydroxy-3-methyl-4-(piperidin-4-ylcarbamoylamino)butanoic acid
SMILESCC(O)(CNC(=O)NC1CCNCC1)CC(=O)O
InChIInChI=1S/C11H21N3O4/c1-11(18,6-9(15)16)7-13-10(17)14-8-2-4-12-5-3-8/h8,12,18H,2-7H2,1H3,(H,15,16)(H2,13,14,17)
InChIKeyGUNZZKXAUIQRMN-UHFFFAOYSA-N
MW259.31 g/mol
LogP-0.74
Rot. Bonds5

About 3-hydroxy-3-methyl-4-(piperidin-4-ylcarbamoylamino)butanoic acid

3-hydroxy-3-methyl-4-(piperidin-4-ylcarbamoylamino)butanoic acid (PubChem CID 66003003) has the molecular formula C11H21N3O4 and a molecular weight of 259.31 g/mol. Its IUPAC name is 3-hydroxy-3-methyl-4-(piperidin-4-ylcarbamoylamino)butanoic acid.

Molecular Properties

Compound Name3-hydroxy-3-methyl-4-(piperidin-4-ylcarbamoylamino)butanoic acid
PubChem CID66003003
Molecular FormulaC11H21N3O4
Molecular Weight259.31 g/mol
Exact Mass259.15
IUPAC Name3-hydroxy-3-methyl-4-(piperidin-4-ylcarbamoylamino)butanoic acid
SMILESCC(O)(CNC(=O)NC1CCNCC1)CC(=O)O
InChIInChI=1S/C11H21N3O4/c1-11(18,6-9(15)16)7-13-10(17)14-8-2-4-12-5-3-8/h8,12,18H,2-7H2,1H3,(H,15,16)(H2,13,14,17)
InChIKeyGUNZZKXAUIQRMN-UHFFFAOYSA-N
XLogP-0.74
TPSA110.69 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 5-0.74
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

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Related Compounds

3-hydroxy-3-methyl-4-[[methyl(piperidin-4-yl)carbamoyl]amino]butanoic acid
CID 66003598
3-hydroxy-3-methyl-4-(pyrrolidine-3-carbonylamino)butanoic acid
CID 66003959
3-hydroxy-3-methyl-4-(methylcarbamoylamino)butanoic acid
CID 66003379
1-ethyl-3-piperidin-4-ylurea;2,2,2-trifluoroacetic acid
CID 174864517
1-(dimethylamino)-3-piperidin-4-ylurea
CID 174543793
3-hydroxy-3-methyl-4-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoylamino]butanoic acid
CID 106257873
3-hydroxy-3-methyl-4-[[(3R)-piperidine-3-carbonyl]amino]butanoic acid
CID 81133727
4-[(4-ethylpiperidine-4-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid
CID 66001579
3,3-dimethyl-N-piperidin-4-ylbutanamide;hydrochloride
CID 53255531
1-methyl-3-piperidin-4-ylurea
CID 18759970
1-cyclohexyl-3-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)urea
CID 71787244
1-cyclobutyl-3-(2,2-dimethylpropyl)urea
CID 115617999

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-methyl-4-(piperidin-4-ylcarbamoylamino)butanoic acid?
The IUPAC name of 3-hydroxy-3-methyl-4-(piperidin-4-ylcarbamoylamino)butanoic acid (CID 66003003) is 3-hydroxy-3-methyl-4-(piperidin-4-ylcarbamoylamino)butanoic acid.
What is the SMILES notation for 3-hydroxy-3-methyl-4-(piperidin-4-ylcarbamoylamino)butanoic acid?
The canonical SMILES for 3-hydroxy-3-methyl-4-(piperidin-4-ylcarbamoylamino)butanoic acid is CC(O)(CNC(=O)NC1CCNCC1)CC(=O)O.
What is the InChIKey of 3-hydroxy-3-methyl-4-(piperidin-4-ylcarbamoylamino)butanoic acid?
The InChIKey is GUNZZKXAUIQRMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O4/c1-11(18,6-9(15)16)7-13-10(17)14-8-2-4-12-5-3-8/h8,12,18H,2-7H2,1H3,(H,15,16)(H2,13,14,17).
What are the key properties of 3-hydroxy-3-methyl-4-(piperidin-4-ylcarbamoylamino)butanoic acid?
3-hydroxy-3-methyl-4-(piperidin-4-ylcarbamoylamino)butanoic acid has a molecular weight of 259.31 g/mol, XLogP of -0.74, 5 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-methyl-4-(piperidin-4-ylcarbamoylamino)butanoic acid is sourced from PubChem (CID 66003003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).