3-hydroxy-3-methyl-4-[[methyl(piperidin-4-yl)carbamoyl]amino]butanoic acid

C12H23N3O4 — CID 66003598

IUPAC3-hydroxy-3-methyl-4-[[methyl(piperidin-4-yl)carbamoyl]amino]butanoic acid
SMILESCN(C(=O)NCC(C)(O)CC(=O)O)C1CCNCC1
InChIInChI=1S/C12H23N3O4/c1-12(19,7-10(16)17)8-14-11(18)15(2)9-3-5-13-6-4-9/h9,13,19H,3-8H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyQRWZDLSZYNOXER-UHFFFAOYSA-N
MW273.33 g/mol
LogP-0.39
Rot. Bonds5

About 3-hydroxy-3-methyl-4-[[methyl(piperidin-4-yl)carbamoyl]amino]butanoic acid

3-hydroxy-3-methyl-4-[[methyl(piperidin-4-yl)carbamoyl]amino]butanoic acid (PubChem CID 66003598) has the molecular formula C12H23N3O4 and a molecular weight of 273.33 g/mol. Its IUPAC name is 3-hydroxy-3-methyl-4-[[methyl(piperidin-4-yl)carbamoyl]amino]butanoic acid.

Molecular Properties

Compound Name3-hydroxy-3-methyl-4-[[methyl(piperidin-4-yl)carbamoyl]amino]butanoic acid
PubChem CID66003598
Molecular FormulaC12H23N3O4
Molecular Weight273.33 g/mol
Exact Mass273.17
IUPAC Name3-hydroxy-3-methyl-4-[[methyl(piperidin-4-yl)carbamoyl]amino]butanoic acid
SMILESCN(C(=O)NCC(C)(O)CC(=O)O)C1CCNCC1
InChIInChI=1S/C12H23N3O4/c1-12(19,7-10(16)17)8-14-11(18)15(2)9-3-5-13-6-4-9/h9,13,19H,3-8H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyQRWZDLSZYNOXER-UHFFFAOYSA-N
XLogP-0.39
TPSA101.90 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 5-0.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-hydroxy-3-methyl-4-[[methyl-(3-methylcyclohexyl)carbamoyl]amino]butanoic acid
CID 66003800
3-hydroxy-3-methyl-4-(piperidin-4-ylcarbamoylamino)butanoic acid
CID 66003003
4-(dimethylcarbamoylamino)-3-hydroxy-3-methylbutanoic acid
CID 66002994
4-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]-3-hydroxy-3-methylbutanoic acid
CID 66002836
4-[[cyclopropyl(propyl)carbamoyl]amino]-3-hydroxy-3-methylbutanoic acid
CID 66001609
3-hydroxy-3-methyl-4-(pyrrolidine-3-carbonylamino)butanoic acid
CID 66003959
1-methyl-1-piperidin-4-yl-3-propylurea
CID 20569907
3-[[[methyl(piperidin-4-yl)carbamoyl]amino]methyl]pentanoic acid
CID 81069336
3-hydroxy-3-methyl-4-[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]butanoic acid
CID 66002435
(2S)-2-hydroxy-4-[[methyl(piperidin-4-yl)carbamoyl]amino]butanoic acid
CID 107838739
3-hydroxy-3-methyl-4-[[(3R)-piperidine-3-carbonyl]amino]butanoic acid
CID 81133727
3-hydroxy-4-[[2-hydroxypropyl(methyl)carbamoyl]amino]-3-methylbutanoic acid
CID 66002629

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-methyl-4-[[methyl(piperidin-4-yl)carbamoyl]amino]butanoic acid?
The IUPAC name of 3-hydroxy-3-methyl-4-[[methyl(piperidin-4-yl)carbamoyl]amino]butanoic acid (CID 66003598) is 3-hydroxy-3-methyl-4-[[methyl(piperidin-4-yl)carbamoyl]amino]butanoic acid.
What is the SMILES notation for 3-hydroxy-3-methyl-4-[[methyl(piperidin-4-yl)carbamoyl]amino]butanoic acid?
The canonical SMILES for 3-hydroxy-3-methyl-4-[[methyl(piperidin-4-yl)carbamoyl]amino]butanoic acid is CN(C(=O)NCC(C)(O)CC(=O)O)C1CCNCC1.
What is the InChIKey of 3-hydroxy-3-methyl-4-[[methyl(piperidin-4-yl)carbamoyl]amino]butanoic acid?
The InChIKey is QRWZDLSZYNOXER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O4/c1-12(19,7-10(16)17)8-14-11(18)15(2)9-3-5-13-6-4-9/h9,13,19H,3-8H2,1-2H3,(H,14,18)(H,16,17).
What are the key properties of 3-hydroxy-3-methyl-4-[[methyl(piperidin-4-yl)carbamoyl]amino]butanoic acid?
3-hydroxy-3-methyl-4-[[methyl(piperidin-4-yl)carbamoyl]amino]butanoic acid has a molecular weight of 273.33 g/mol, XLogP of -0.39, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-methyl-4-[[methyl(piperidin-4-yl)carbamoyl]amino]butanoic acid is sourced from PubChem (CID 66003598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).