4-[(3R)-3-methylpiperidin-1-yl]-4-oxobutanoic acid

C10H17NO3 — CID 40543101

IUPAC4-[(3R)-3-methylpiperidin-1-yl]-4-oxobutanoic acid
SMILESC[C@@H]1CCCN(C(=O)CCC(=O)O)C1
InChIInChI=1S/C10H17NO3/c1-8-3-2-6-11(7-8)9(12)4-5-10(13)14/h8H,2-7H2,1H3,(H,13,14)/t8-/m1/s1
InChIKeyHRCNGZMQLSBWJU-MRVPVSSYSA-N
MW199.25 g/mol
LogP1.11
Rot. Bonds3

About 4-[(3R)-3-methylpiperidin-1-yl]-4-oxobutanoic acid

4-[(3R)-3-methylpiperidin-1-yl]-4-oxobutanoic acid (PubChem CID 40543101) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 4-[(3R)-3-methylpiperidin-1-yl]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[(3R)-3-methylpiperidin-1-yl]-4-oxobutanoic acid
PubChem CID40543101
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name4-[(3R)-3-methylpiperidin-1-yl]-4-oxobutanoic acid
SMILESC[C@@H]1CCCN(C(=O)CCC(=O)O)C1
InChIInChI=1S/C10H17NO3/c1-8-3-2-6-11(7-8)9(12)4-5-10(13)14/h8H,2-7H2,1H3,(H,13,14)/t8-/m1/s1
InChIKeyHRCNGZMQLSBWJU-MRVPVSSYSA-N
XLogP1.11
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(3S)-3-methoxypiperidin-1-yl]-4-oxobutanoic acid
CID 129412716
4-[(3S)-3-(hydroxymethyl)piperidin-1-yl]-4-oxobutanoic acid
CID 93204224
4-(3-methoxycarbonylpiperidin-1-yl)-4-oxobutanoic acid
CID 110465779
3-[ethyl-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoic acid
CID 54899890
4-(methylamino)-1-(3-methylpiperidin-1-yl)butan-1-one
CID 60841501
3-methylpiperidine-1-carboxylic acid
CID 22047728
1-(3-methylpiperidin-1-yl)-2-methylsulfanylethanone
CID 42910082
1-(3-methylpiperidin-1-yl)-3-piperazin-1-ylpropan-1-one
CID 82021369
3-(4-acetylpiperazin-1-yl)-1-(3-methylpiperidin-1-yl)propan-1-one
CID 109018325
2-(dimethylamino)-1-[(3S)-3-methylpiperidin-1-yl]ethanone
CID 131045839
3-[(3R)-3-methylpiperidin-1-yl]propanoic acid
CID 7258528
N-[3-[(3R)-3-methylpiperidin-1-yl]-3-oxopropyl]methanesulfonamide
CID 94809178

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-methylpiperidin-1-yl]-4-oxobutanoic acid?
The IUPAC name of 4-[(3R)-3-methylpiperidin-1-yl]-4-oxobutanoic acid (CID 40543101) is 4-[(3R)-3-methylpiperidin-1-yl]-4-oxobutanoic acid.
What is the SMILES notation for 4-[(3R)-3-methylpiperidin-1-yl]-4-oxobutanoic acid?
The canonical SMILES for 4-[(3R)-3-methylpiperidin-1-yl]-4-oxobutanoic acid is C[C@@H]1CCCN(C(=O)CCC(=O)O)C1.
What is the InChIKey of 4-[(3R)-3-methylpiperidin-1-yl]-4-oxobutanoic acid?
The InChIKey is HRCNGZMQLSBWJU-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-8-3-2-6-11(7-8)9(12)4-5-10(13)14/h8H,2-7H2,1H3,(H,13,14)/t8-/m1/s1.
What are the key properties of 4-[(3R)-3-methylpiperidin-1-yl]-4-oxobutanoic acid?
4-[(3R)-3-methylpiperidin-1-yl]-4-oxobutanoic acid has a molecular weight of 199.25 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-methylpiperidin-1-yl]-4-oxobutanoic acid is sourced from PubChem (CID 40543101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).