2-[(2R,3R)-2-cyclopropylpiperidin-3-yl]acetic acid

C10H17NO2 — CID 96627378

IUPAC2-[(2R,3R)-2-cyclopropylpiperidin-3-yl]acetic acid
SMILESO=C(O)C[C@H]1CCCN[C@@H]1C1CC1
InChIInChI=1S/C10H17NO2/c12-9(13)6-8-2-1-5-11-10(8)7-3-4-7/h7-8,10-11H,1-6H2,(H,12,13)/t8-,10-/m1/s1
InChIKeyJNRNUMXKMIPHCH-PSASIEDQSA-N
MW183.25 g/mol
LogP1.24
Rot. Bonds3

About 2-[(2R,3R)-2-cyclopropylpiperidin-3-yl]acetic acid

2-[(2R,3R)-2-cyclopropylpiperidin-3-yl]acetic acid (PubChem CID 96627378) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-[(2R,3R)-2-cyclopropylpiperidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[(2R,3R)-2-cyclopropylpiperidin-3-yl]acetic acid
PubChem CID96627378
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name2-[(2R,3R)-2-cyclopropylpiperidin-3-yl]acetic acid
SMILESO=C(O)C[C@H]1CCCN[C@@H]1C1CC1
InChIInChI=1S/C10H17NO2/c12-9(13)6-8-2-1-5-11-10(8)7-3-4-7/h7-8,10-11H,1-6H2,(H,12,13)/t8-,10-/m1/s1
InChIKeyJNRNUMXKMIPHCH-PSASIEDQSA-N
XLogP1.24
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R,3R)-2-cyclopropylpiperidin-3-yl]acetic acid?
The IUPAC name of 2-[(2R,3R)-2-cyclopropylpiperidin-3-yl]acetic acid (CID 96627378) is 2-[(2R,3R)-2-cyclopropylpiperidin-3-yl]acetic acid.
What is the SMILES notation for 2-[(2R,3R)-2-cyclopropylpiperidin-3-yl]acetic acid?
The canonical SMILES for 2-[(2R,3R)-2-cyclopropylpiperidin-3-yl]acetic acid is O=C(O)C[C@H]1CCCN[C@@H]1C1CC1.
What is the InChIKey of 2-[(2R,3R)-2-cyclopropylpiperidin-3-yl]acetic acid?
The InChIKey is JNRNUMXKMIPHCH-PSASIEDQSA-N. The full InChI is InChI=1S/C10H17NO2/c12-9(13)6-8-2-1-5-11-10(8)7-3-4-7/h7-8,10-11H,1-6H2,(H,12,13)/t8-,10-/m1/s1.
What are the key properties of 2-[(2R,3R)-2-cyclopropylpiperidin-3-yl]acetic acid?
2-[(2R,3R)-2-cyclopropylpiperidin-3-yl]acetic acid has a molecular weight of 183.25 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,3R)-2-cyclopropylpiperidin-3-yl]acetic acid is sourced from PubChem (CID 96627378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).