3-amino-4-(4-hydroxy-3-methylpiperidin-1-yl)-4-oxobutanoic acid

C10H18N2O4 — CID 114678426

IUPAC3-amino-4-(4-hydroxy-3-methylpiperidin-1-yl)-4-oxobutanoic acid
SMILESCC1CN(C(=O)C(N)CC(=O)O)CCC1O
InChIInChI=1S/C10H18N2O4/c1-6-5-12(3-2-8(6)13)10(16)7(11)4-9(14)15/h6-8,13H,2-5,11H2,1H3,(H,14,15)
InChIKeyCCSMEPDMUPBHEK-UHFFFAOYSA-N
MW230.26 g/mol
LogP-0.98
Rot. Bonds3

About 3-amino-4-(4-hydroxy-3-methylpiperidin-1-yl)-4-oxobutanoic acid

3-amino-4-(4-hydroxy-3-methylpiperidin-1-yl)-4-oxobutanoic acid (PubChem CID 114678426) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is 3-amino-4-(4-hydroxy-3-methylpiperidin-1-yl)-4-oxobutanoic acid.

Molecular Properties

Compound Name3-amino-4-(4-hydroxy-3-methylpiperidin-1-yl)-4-oxobutanoic acid
PubChem CID114678426
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name3-amino-4-(4-hydroxy-3-methylpiperidin-1-yl)-4-oxobutanoic acid
SMILESCC1CN(C(=O)C(N)CC(=O)O)CCC1O
InChIInChI=1S/C10H18N2O4/c1-6-5-12(3-2-8(6)13)10(16)7(11)4-9(14)15/h6-8,13H,2-5,11H2,1H3,(H,14,15)
InChIKeyCCSMEPDMUPBHEK-UHFFFAOYSA-N
XLogP-0.98
TPSA103.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-0.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-(4-hydroxy-3-methylpiperidin-1-yl)pentan-1-one
CID 114678311
2-amino-1-(4-hydroxy-3-methylpiperidin-1-yl)pent-4-en-1-one
CID 114678359
(2S)-2-amino-1-[(3S,4R)-4-hydroxy-3-methylpiperidin-1-yl]propan-1-one
CID 129380985
(2S)-2-amino-1-(4-hydroxy-3-methylpiperidin-1-yl)-3-methylpentan-1-one
CID 104940920
1-(4-hydroxy-3-methylpiperidin-1-yl)-2-propylpentan-1-one
CID 114501573
1-[(2R)-2-aminopentanoyl]-3-methylpiperidine-4-carboxylic acid
CID 114278530
2-amino-1-(3-hydroxy-4-methylpiperidin-1-yl)-4-methylpentan-1-one
CID 102957127
2-chloro-1-(4-hydroxy-3-methylpiperidin-1-yl)butan-1-one
CID 121202919
1-(2-amino-3-carboxypropanoyl)piperidine-3-carboxylic acid
CID 64897100
1-[(3S,4R)-4-hydroxy-3-methylpiperidin-1-yl]ethanone
CID 129394019
1-(4-hydroxy-3-methylpiperidin-1-yl)-2-methylsulfonylpropan-1-one
CID 114501575
3-amino-4-oxo-4-(4-pyrrolidin-1-ylpiperidin-1-yl)butanoic acid
CID 64895343

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(4-hydroxy-3-methylpiperidin-1-yl)-4-oxobutanoic acid?
The IUPAC name of 3-amino-4-(4-hydroxy-3-methylpiperidin-1-yl)-4-oxobutanoic acid (CID 114678426) is 3-amino-4-(4-hydroxy-3-methylpiperidin-1-yl)-4-oxobutanoic acid.
What is the SMILES notation for 3-amino-4-(4-hydroxy-3-methylpiperidin-1-yl)-4-oxobutanoic acid?
The canonical SMILES for 3-amino-4-(4-hydroxy-3-methylpiperidin-1-yl)-4-oxobutanoic acid is CC1CN(C(=O)C(N)CC(=O)O)CCC1O.
What is the InChIKey of 3-amino-4-(4-hydroxy-3-methylpiperidin-1-yl)-4-oxobutanoic acid?
The InChIKey is CCSMEPDMUPBHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-6-5-12(3-2-8(6)13)10(16)7(11)4-9(14)15/h6-8,13H,2-5,11H2,1H3,(H,14,15).
What are the key properties of 3-amino-4-(4-hydroxy-3-methylpiperidin-1-yl)-4-oxobutanoic acid?
3-amino-4-(4-hydroxy-3-methylpiperidin-1-yl)-4-oxobutanoic acid has a molecular weight of 230.26 g/mol, XLogP of -0.98, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(4-hydroxy-3-methylpiperidin-1-yl)-4-oxobutanoic acid is sourced from PubChem (CID 114678426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).