3-[(3R)-3-methylpiperidin-1-yl]propanoic acid

C9H17NO2 — CID 7258528

IUPAC3-[(3R)-3-methylpiperidin-1-yl]propanoic acid
SMILESC[C@@H]1CCCN(CCC(=O)O)C1
InChIInChI=1S/C9H17NO2/c1-8-3-2-5-10(7-8)6-4-9(11)12/h8H,2-7H2,1H3,(H,11,12)/t8-/m1/s1
InChIKeyQXNRINREEMVRHV-MRVPVSSYSA-N
MW171.24 g/mol
LogP1.19
Rot. Bonds3

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

3-[(3R)-3-methylpiperidin-1-yl]propanoic acid (PubChem CID 7258528) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 3-[(3R)-3-methylpiperidin-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[(3R)-3-methylpiperidin-1-yl]propanoic acid
PubChem CID7258528
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name3-[(3R)-3-methylpiperidin-1-yl]propanoic acid
SMILESC[C@@H]1CCCN(CCC(=O)O)C1
InChIInChI=1S/C9H17NO2/c1-8-3-2-5-10(7-8)6-4-9(11)12/h8H,2-7H2,1H3,(H,11,12)/t8-/m1/s1
InChIKeyQXNRINREEMVRHV-MRVPVSSYSA-N
XLogP1.19
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-(3-methylpiperidin-1-yl)propanoylamino]butanoic acid
CID 53215755
2-(3-methylpiperidin-1-yl)acetic acid;hydrochloride
CID 46735976
3-(3-methylpiperidin-1-yl)propanethioamide
CID 24690100
3-[3-(fluoromethyl)piperidin-1-yl]propanoic acid
CID 121200949
3-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]propanoic acid
CID 95599765
3-[3-(diethylamino)piperidin-1-yl]propanoic acid
CID 83840059
3-[3-(1,1-difluoroethyl)piperidin-1-yl]propanoic acid
CID 121202511
3-[(3S)-3-methylpiperidin-1-yl]-N-phenylpropanamide
CID 739976
3-[3-(propanoylamino)piperidin-1-yl]propanoic acid;hydrochloride
CID 71933075
4-[(3R)-3-methylpiperidin-1-yl]-4-oxobutanoic acid
CID 40543101
4-methyl-2-[3-(3-methylpiperidin-1-yl)propanoylamino]pentanoic acid
CID 52983770
3-(3-methylpiperidin-1-yl)-1-(4-phenylphenyl)propan-1-one
CID 82051046

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-3-methylpiperidin-1-yl]propanoic acid?
The IUPAC name of 3-[(3R)-3-methylpiperidin-1-yl]propanoic acid (CID 7258528) is 3-[(3R)-3-methylpiperidin-1-yl]propanoic acid.
What is the SMILES notation for 3-[(3R)-3-methylpiperidin-1-yl]propanoic acid?
The canonical SMILES for 3-[(3R)-3-methylpiperidin-1-yl]propanoic acid is C[C@@H]1CCCN(CCC(=O)O)C1.
What is the InChIKey of 3-[(3R)-3-methylpiperidin-1-yl]propanoic acid?
The InChIKey is QXNRINREEMVRHV-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-8-3-2-5-10(7-8)6-4-9(11)12/h8H,2-7H2,1H3,(H,11,12)/t8-/m1/s1.
What are the key properties of 3-[(3R)-3-methylpiperidin-1-yl]propanoic acid?
3-[(3R)-3-methylpiperidin-1-yl]propanoic acid has a molecular weight of 171.24 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-3-methylpiperidin-1-yl]propanoic acid is sourced from PubChem (CID 7258528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).