2-[(3R)-1-methylpiperidin-3-yl]acetic acid

C8H15NO2 — CID 67245614

IUPAC2-[(3R)-1-methylpiperidin-3-yl]acetic acid
SMILESCN1CCC[C@H](CC(=O)O)C1
InChIInChI=1S/C8H15NO2/c1-9-4-2-3-7(6-9)5-8(10)11/h7H,2-6H2,1H3,(H,10,11)/t7-/m1/s1
InChIKeyDRVBRICCCNVPBA-SSDOTTSWSA-N
MW157.21 g/mol
LogP0.80
Rot. Bonds2

About 2-[(3R)-1-methylpiperidin-3-yl]acetic acid

2-[(3R)-1-methylpiperidin-3-yl]acetic acid (PubChem CID 67245614) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 2-[(3R)-1-methylpiperidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[(3R)-1-methylpiperidin-3-yl]acetic acid
PubChem CID67245614
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name2-[(3R)-1-methylpiperidin-3-yl]acetic acid
SMILESCN1CCC[C@H](CC(=O)O)C1
InChIInChI=1S/C8H15NO2/c1-9-4-2-3-7(6-9)5-8(10)11/h7H,2-6H2,1H3,(H,10,11)/t7-/m1/s1
InChIKeyDRVBRICCCNVPBA-SSDOTTSWSA-N
XLogP0.80
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-methylpyrrolidin-3-yl)acetic acid
CID 19362950
2-[(1-methylpiperidin-3-yl)methyl]prop-2-enoic acid
CID 117266962
2-[1-(1-methylazepan-4-yl)piperidin-3-yl]acetic acid
CID 65072818
3-[[2-(1-methylpiperidin-3-yl)acetyl]amino]propanoic acid
CID 110837529
2-[1-[(1-methylpiperidin-3-yl)methylcarbamoyl]piperidin-4-yl]acetic acid
CID 79612545
N-cyclopropyl-2-(1-methylpiperidin-3-yl)acetamide
CID 110848024
2-(1-decylpiperidin-3-yl)acetic acid
CID 62689590
2-(1-methylpiperidin-3-yl)sulfanylacetic acid
CID 116853663
2-[(3R)-1-(2-methylpropyl)piperidin-3-yl]acetic acid
CID 86324356
2-[methyl-[2-(1-methylpiperidin-3-yl)acetyl]amino]propanoic acid
CID 110837525
2-(1-cycloheptylpiperidin-3-yl)acetic acid
CID 65060458
1-(1-methylpiperidin-3-yl)-N-[(1-methylpyrrolidin-3-yl)methyl]methanamine
CID 62659433

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-1-methylpiperidin-3-yl]acetic acid?
The IUPAC name of 2-[(3R)-1-methylpiperidin-3-yl]acetic acid (CID 67245614) is 2-[(3R)-1-methylpiperidin-3-yl]acetic acid.
What is the SMILES notation for 2-[(3R)-1-methylpiperidin-3-yl]acetic acid?
The canonical SMILES for 2-[(3R)-1-methylpiperidin-3-yl]acetic acid is CN1CCC[C@H](CC(=O)O)C1.
What is the InChIKey of 2-[(3R)-1-methylpiperidin-3-yl]acetic acid?
The InChIKey is DRVBRICCCNVPBA-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H15NO2/c1-9-4-2-3-7(6-9)5-8(10)11/h7H,2-6H2,1H3,(H,10,11)/t7-/m1/s1.
What are the key properties of 2-[(3R)-1-methylpiperidin-3-yl]acetic acid?
2-[(3R)-1-methylpiperidin-3-yl]acetic acid has a molecular weight of 157.21 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-1-methylpiperidin-3-yl]acetic acid is sourced from PubChem (CID 67245614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).