methyl 2-[(3S)-3-hydroxypiperidin-1-yl]propanoate

C9H17NO3 — CID 107225880

IUPACmethyl 2-[(3S)-3-hydroxypiperidin-1-yl]propanoate
SMILESCOC(=O)C(C)N1CCC[C@H](O)C1
InChIInChI=1S/C9H17NO3/c1-7(9(12)13-2)10-5-3-4-8(11)6-10/h7-8,11H,3-6H2,1-2H3/t7?,8-/m0/s1
InChIKeyYKHGVTHUYKJURE-MQWKRIRWSA-N
MW187.24 g/mol
LogP0.00
Rot. Bonds2

About methyl 2-[(3S)-3-hydroxypiperidin-1-yl]propanoate

methyl 2-[(3S)-3-hydroxypiperidin-1-yl]propanoate (PubChem CID 107225880) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is methyl 2-[(3S)-3-hydroxypiperidin-1-yl]propanoate.

Molecular Properties

Compound Namemethyl 2-[(3S)-3-hydroxypiperidin-1-yl]propanoate
PubChem CID107225880
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Namemethyl 2-[(3S)-3-hydroxypiperidin-1-yl]propanoate
SMILESCOC(=O)C(C)N1CCC[C@H](O)C1
InChIInChI=1S/C9H17NO3/c1-7(9(12)13-2)10-5-3-4-8(11)6-10/h7-8,11H,3-6H2,1-2H3/t7?,8-/m0/s1
InChIKeyYKHGVTHUYKJURE-MQWKRIRWSA-N
XLogP0.00
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(3-hydroxypyrrolidin-1-yl)propanoate
CID 62918498
butyl 2-(3-hydroxypiperidin-1-yl)propanoate
CID 111461830
1-(azepan-1-yl)-2-(3-hydroxypiperidin-1-yl)propan-1-one
CID 60677400
methyl 2-(2-methyl-1,4-oxazepan-4-yl)propanoate
CID 62972695
2-(3-hydroxypiperidin-1-yl)-N-prop-2-ynylpropanamide
CID 60718862
(2R)-N-(cyclopropylcarbamoyl)-2-[(3S)-3-hydroxypiperidin-1-yl]propanamide
CID 94185282
methyl 2-(3-azabicyclo[3.3.1]nonan-3-yl)propanoate
CID 130479743
3-[(3S)-3-hydroxypiperidin-1-yl]-2-methylbutanoic acid
CID 107225641
methyl 2-methyl-3-(3-methylpiperidin-1-yl)butanoate
CID 79406800
ethyl 2-(3-methylpiperidin-1-yl)propanoate
CID 25219169
methyl 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)propanoate
CID 115314462
fluoromethane;1-propan-2-ylpiperidin-3-ol
CID 176976990

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3S)-3-hydroxypiperidin-1-yl]propanoate?
The IUPAC name of methyl 2-[(3S)-3-hydroxypiperidin-1-yl]propanoate (CID 107225880) is methyl 2-[(3S)-3-hydroxypiperidin-1-yl]propanoate.
What is the SMILES notation for methyl 2-[(3S)-3-hydroxypiperidin-1-yl]propanoate?
The canonical SMILES for methyl 2-[(3S)-3-hydroxypiperidin-1-yl]propanoate is COC(=O)C(C)N1CCC[C@H](O)C1.
What is the InChIKey of methyl 2-[(3S)-3-hydroxypiperidin-1-yl]propanoate?
The InChIKey is YKHGVTHUYKJURE-MQWKRIRWSA-N. The full InChI is InChI=1S/C9H17NO3/c1-7(9(12)13-2)10-5-3-4-8(11)6-10/h7-8,11H,3-6H2,1-2H3/t7?,8-/m0/s1.
What are the key properties of methyl 2-[(3S)-3-hydroxypiperidin-1-yl]propanoate?
methyl 2-[(3S)-3-hydroxypiperidin-1-yl]propanoate has a molecular weight of 187.24 g/mol, XLogP of 0.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3S)-3-hydroxypiperidin-1-yl]propanoate is sourced from PubChem (CID 107225880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).