2-[(3R)-3-[(1S)-1-hydroxyethyl]piperidin-1-yl]acetic acid

C9H17NO3 — CID 129496143

IUPAC2-[(3R)-3-[(1S)-1-hydroxyethyl]piperidin-1-yl]acetic acid
SMILESC[C@H](O)[C@@H]1CCCN(CC(=O)O)C1
InChIInChI=1S/C9H17NO3/c1-7(11)8-3-2-4-10(5-8)6-9(12)13/h7-8,11H,2-6H2,1H3,(H,12,13)/t7-,8+/m0/s1
InChIKeyIRPXDWOZQXUJEY-JGVFFNPUSA-N
MW187.24 g/mol
LogP0.16
Rot. Bonds3

About 2-[(3R)-3-[(1S)-1-hydroxyethyl]piperidin-1-yl]acetic acid

2-[(3R)-3-[(1S)-1-hydroxyethyl]piperidin-1-yl]acetic acid (PubChem CID 129496143) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 2-[(3R)-3-[(1S)-1-hydroxyethyl]piperidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[(3R)-3-[(1S)-1-hydroxyethyl]piperidin-1-yl]acetic acid
PubChem CID129496143
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name2-[(3R)-3-[(1S)-1-hydroxyethyl]piperidin-1-yl]acetic acid
SMILESC[C@H](O)[C@@H]1CCCN(CC(=O)O)C1
InChIInChI=1S/C9H17NO3/c1-7(11)8-3-2-4-10(5-8)6-9(12)13/h7-8,11H,2-6H2,1H3,(H,12,13)/t7-,8+/m0/s1
InChIKeyIRPXDWOZQXUJEY-JGVFFNPUSA-N
XLogP0.16
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(1-hydroxyethyl)piperidin-1-yl]acetic acid
CID 121201670
2-[3-(difluoromethyl)piperidin-1-yl]acetic acid
CID 121215404
(1R)-1-[(3R)-1-propylpiperidin-3-yl]ethanol
CID 51697339
2-(3-methylpiperidin-1-yl)acetic acid;hydrochloride
CID 46735976
N-cycloheptyl-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]acetamide
CID 112628204
1-[1-(2-methoxyethyl)piperidin-3-yl]ethanol
CID 174389909
2-[3-(cyclopropylamino)piperidin-1-yl]acetic acid
CID 83991919
N-cyclopentyl-N-cyclopropyl-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]acetamide
CID 110020360
N-(1-ethylpiperidin-4-yl)-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]acetamide
CID 110019949
2-[3-(1-hydroxyethyl)-5-(3-methylbutylamino)piperidin-1-yl]acetic acid
CID 83996085
(2R)-2-[(3R)-3-[(1S)-1-hydroxyethyl]piperidin-1-yl]butanoic acid
CID 129495909
2-[4-(1-cyclopentylethyl)-1,4-diazepan-1-yl]acetic acid
CID 65061835

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-[(1S)-1-hydroxyethyl]piperidin-1-yl]acetic acid?
The IUPAC name of 2-[(3R)-3-[(1S)-1-hydroxyethyl]piperidin-1-yl]acetic acid (CID 129496143) is 2-[(3R)-3-[(1S)-1-hydroxyethyl]piperidin-1-yl]acetic acid.
What is the SMILES notation for 2-[(3R)-3-[(1S)-1-hydroxyethyl]piperidin-1-yl]acetic acid?
The canonical SMILES for 2-[(3R)-3-[(1S)-1-hydroxyethyl]piperidin-1-yl]acetic acid is C[C@H](O)[C@@H]1CCCN(CC(=O)O)C1.
What is the InChIKey of 2-[(3R)-3-[(1S)-1-hydroxyethyl]piperidin-1-yl]acetic acid?
The InChIKey is IRPXDWOZQXUJEY-JGVFFNPUSA-N. The full InChI is InChI=1S/C9H17NO3/c1-7(11)8-3-2-4-10(5-8)6-9(12)13/h7-8,11H,2-6H2,1H3,(H,12,13)/t7-,8+/m0/s1.
What are the key properties of 2-[(3R)-3-[(1S)-1-hydroxyethyl]piperidin-1-yl]acetic acid?
2-[(3R)-3-[(1S)-1-hydroxyethyl]piperidin-1-yl]acetic acid has a molecular weight of 187.24 g/mol, XLogP of 0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-[(1S)-1-hydroxyethyl]piperidin-1-yl]acetic acid is sourced from PubChem (CID 129496143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).