2-[(3S,4S)-4-hydroxy-3-methylpiperidin-1-yl]acetic acid

C8H15NO3 — CID 129381021

IUPAC2-[(3S,4S)-4-hydroxy-3-methylpiperidin-1-yl]acetic acid
SMILESC[C@H]1CN(CC(=O)O)CC[C@@H]1O
InChIInChI=1S/C8H15NO3/c1-6-4-9(5-8(11)12)3-2-7(6)10/h6-7,10H,2-5H2,1H3,(H,11,12)/t6-,7-/m0/s1
InChIKeyCLNBWJNLUCCPDJ-BQBZGAKWSA-N
MW173.21 g/mol
LogP-0.23
Rot. Bonds2

About 2-[(3S,4S)-4-hydroxy-3-methylpiperidin-1-yl]acetic acid

2-[(3S,4S)-4-hydroxy-3-methylpiperidin-1-yl]acetic acid (PubChem CID 129381021) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is 2-[(3S,4S)-4-hydroxy-3-methylpiperidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[(3S,4S)-4-hydroxy-3-methylpiperidin-1-yl]acetic acid
PubChem CID129381021
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name2-[(3S,4S)-4-hydroxy-3-methylpiperidin-1-yl]acetic acid
SMILESC[C@H]1CN(CC(=O)O)CC[C@@H]1O
InChIInChI=1S/C8H15NO3/c1-6-4-9(5-8(11)12)3-2-7(6)10/h6-7,10H,2-5H2,1H3,(H,11,12)/t6-,7-/m0/s1
InChIKeyCLNBWJNLUCCPDJ-BQBZGAKWSA-N
XLogP-0.23
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3S,4R)-4-hydroxy-3-methylpiperidin-1-yl]acetic acid
CID 129445651
N-cyclopropyl-2-(4-hydroxy-3-methylpiperidin-1-yl)acetamide
CID 114502743
ethane;2-(3-methylpyrrolidin-1-yl)acetic acid
CID 143851762
(3S,4R)-1-ethyl-3-methylpiperidin-4-ol
CID 143448112
N-(2-aminoethyl)-2-(4-hydroxy-3-methylpiperidin-1-yl)acetamide
CID 114678035
2-[4-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]phenyl]acetic acid
CID 105346215
2-(3-methylpiperidin-1-yl)acetic acid;hydrochloride
CID 46735976
2-(4-methylpiperidin-1-yl)acetic acid
CID 3153128
N'-hydroxy-2-[(3R,4S)-4-hydroxy-3-methylpiperidin-1-yl]ethanimidamide
CID 129381008
2-(4-hydroxy-3-methylpiperidin-1-yl)-N-prop-2-enylacetamide
CID 114502335
2-(4-hydroxy-3-methylpiperidin-1-yl)-1-(2-methylmorpholin-4-yl)ethanone
CID 114681420
2-(4-hydroxy-3-methylpiperidin-1-yl)-1-thiophen-2-ylethanone
CID 114679282

Frequently Asked Questions

What is the IUPAC name of 2-[(3S,4S)-4-hydroxy-3-methylpiperidin-1-yl]acetic acid?
The IUPAC name of 2-[(3S,4S)-4-hydroxy-3-methylpiperidin-1-yl]acetic acid (CID 129381021) is 2-[(3S,4S)-4-hydroxy-3-methylpiperidin-1-yl]acetic acid.
What is the SMILES notation for 2-[(3S,4S)-4-hydroxy-3-methylpiperidin-1-yl]acetic acid?
The canonical SMILES for 2-[(3S,4S)-4-hydroxy-3-methylpiperidin-1-yl]acetic acid is C[C@H]1CN(CC(=O)O)CC[C@@H]1O.
What is the InChIKey of 2-[(3S,4S)-4-hydroxy-3-methylpiperidin-1-yl]acetic acid?
The InChIKey is CLNBWJNLUCCPDJ-BQBZGAKWSA-N. The full InChI is InChI=1S/C8H15NO3/c1-6-4-9(5-8(11)12)3-2-7(6)10/h6-7,10H,2-5H2,1H3,(H,11,12)/t6-,7-/m0/s1.
What are the key properties of 2-[(3S,4S)-4-hydroxy-3-methylpiperidin-1-yl]acetic acid?
2-[(3S,4S)-4-hydroxy-3-methylpiperidin-1-yl]acetic acid has a molecular weight of 173.21 g/mol, XLogP of -0.23, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S,4S)-4-hydroxy-3-methylpiperidin-1-yl]acetic acid is sourced from PubChem (CID 129381021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).