2-[(3R,4S)-3-cyclopropylpiperidin-4-yl]acetic acid

C10H17NO2 — CID 155822118

IUPAC2-[(3R,4S)-3-cyclopropylpiperidin-4-yl]acetic acid
SMILESO=C(O)C[C@@H]1CCNC[C@@H]1C1CC1
InChIInChI=1S/C10H17NO2/c12-10(13)5-8-3-4-11-6-9(8)7-1-2-7/h7-9,11H,1-6H2,(H,12,13)/t8-,9+/m0/s1
InChIKeyAXYCPHYNYPGHAY-DTWKUNHWSA-N
MW183.25 g/mol
LogP1.10
Rot. Bonds3

About 2-[(3R,4S)-3-cyclopropylpiperidin-4-yl]acetic acid

2-[(3R,4S)-3-cyclopropylpiperidin-4-yl]acetic acid (PubChem CID 155822118) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-[(3R,4S)-3-cyclopropylpiperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[(3R,4S)-3-cyclopropylpiperidin-4-yl]acetic acid
PubChem CID155822118
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name2-[(3R,4S)-3-cyclopropylpiperidin-4-yl]acetic acid
SMILESO=C(O)C[C@@H]1CCNC[C@@H]1C1CC1
InChIInChI=1S/C10H17NO2/c12-10(13)5-8-3-4-11-6-9(8)7-1-2-7/h7-9,11H,1-6H2,(H,12,13)/t8-,9+/m0/s1
InChIKeyAXYCPHYNYPGHAY-DTWKUNHWSA-N
XLogP1.10
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 ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-propylpiperidin-4-yl)acetic acid
CID 84660229
2-pyrrolidin-3-ylacetic acid;hydrochloride
CID 42614151
[(3S,4S)-4-cyclopropylpyrrolidin-3-yl]methanol
CID 129408049
2-[3-(4-hydroxyphenyl)piperidin-4-yl]acetic acid
CID 117167997
2-[(1R,2S)-2-(carboxymethyl)cyclobutyl]acetic acid
CID 11401026
3-cyclobutylpiperidine-4-carboxylic acid
CID 84769140
2-[2-(trifluoromethyl)pyrrolidin-3-yl]acetic acid
CID 83831293
(4aS,7R,7aS)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridin-7-amine;hydrochloride
CID 155905230
(4aS,7S,7aS)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridin-7-ol
CID 155904641
2-[(2R,3R)-2-cyclopropylpiperidin-3-yl]acetic acid
CID 96627378
3-[(3R,4R)-3-methylpiperidin-4-yl]propanoic acid
CID 125181118
3-[(3S,4R)-3-hydroxypiperidin-4-yl]propanoic acid;hydrochloride
CID 141050342

Frequently Asked Questions

What is the IUPAC name of 2-[(3R,4S)-3-cyclopropylpiperidin-4-yl]acetic acid?
The IUPAC name of 2-[(3R,4S)-3-cyclopropylpiperidin-4-yl]acetic acid (CID 155822118) is 2-[(3R,4S)-3-cyclopropylpiperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[(3R,4S)-3-cyclopropylpiperidin-4-yl]acetic acid?
The canonical SMILES for 2-[(3R,4S)-3-cyclopropylpiperidin-4-yl]acetic acid is O=C(O)C[C@@H]1CCNC[C@@H]1C1CC1.
What is the InChIKey of 2-[(3R,4S)-3-cyclopropylpiperidin-4-yl]acetic acid?
The InChIKey is AXYCPHYNYPGHAY-DTWKUNHWSA-N. The full InChI is InChI=1S/C10H17NO2/c12-10(13)5-8-3-4-11-6-9(8)7-1-2-7/h7-9,11H,1-6H2,(H,12,13)/t8-,9+/m0/s1.
What are the key properties of 2-[(3R,4S)-3-cyclopropylpiperidin-4-yl]acetic acid?
2-[(3R,4S)-3-cyclopropylpiperidin-4-yl]acetic acid has a molecular weight of 183.25 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,4S)-3-cyclopropylpiperidin-4-yl]acetic acid is sourced from PubChem (CID 155822118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).