(2S)-2-[(3R)-3-(methoxymethyl)piperidin-1-yl]propanoic acid

C10H19NO3 — CID 129413747

IUPAC(2S)-2-[(3R)-3-(methoxymethyl)piperidin-1-yl]propanoic acid
SMILESCOC[C@@H]1CCCN([C@@H](C)C(=O)O)C1
InChIInChI=1S/C10H19NO3/c1-8(10(12)13)11-5-3-4-9(6-11)7-14-2/h8-9H,3-7H2,1-2H3,(H,12,13)/t8-,9+/m0/s1
InChIKeyNRDAOVUZLFSMRM-DTWKUNHWSA-N
MW201.27 g/mol
LogP0.82
Rot. Bonds4

About (2S)-2-[(3R)-3-(methoxymethyl)piperidin-1-yl]propanoic acid

(2S)-2-[(3R)-3-(methoxymethyl)piperidin-1-yl]propanoic acid (PubChem CID 129413747) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is (2S)-2-[(3R)-3-(methoxymethyl)piperidin-1-yl]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[(3R)-3-(methoxymethyl)piperidin-1-yl]propanoic acid
PubChem CID129413747
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name(2S)-2-[(3R)-3-(methoxymethyl)piperidin-1-yl]propanoic acid
SMILESCOC[C@@H]1CCCN([C@@H](C)C(=O)O)C1
InChIInChI=1S/C10H19NO3/c1-8(10(12)13)11-5-3-4-9(6-11)7-14-2/h8-9H,3-7H2,1-2H3,(H,12,13)/t8-,9+/m0/s1
InChIKeyNRDAOVUZLFSMRM-DTWKUNHWSA-N
XLogP0.82
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(methoxymethyl)piperidin-1-yl]pentan-3-one
CID 106587759
methanol;3-(methoxymethyl)-1-propan-2-ylpiperidine
CID 172576332
(3S)-3-(methoxymethyl)-1-propan-2-ylpiperidine
CID 167395488
(2R)-2-[(3R)-3-(methoxymethyl)piperidin-1-yl]butanoic acid
CID 129414278
2-[3-[(carboxymethylamino)methyl]piperidin-1-yl]propanoic acid
CID 106813990
1-(4-fluorophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]propan-1-one
CID 106587711
2-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]propanoic acid
CID 119135088
2-[[(3S)-1-propan-2-ylpiperidin-3-yl]methoxy]acetic acid
CID 162750163
2-[3-[(2,2-dimethylpropanoylamino)methyl]piperidin-1-yl]propanoic acid
CID 119135503
(2S)-2-[(3S)-3-methylpiperidin-1-yl]propanoic acid
CID 42307253
N,N-dimethyl-1-(1-propan-2-ylpiperidin-3-yl)methanamine;ethane;3-(methoxymethyl)-1-propan-2-ylpiperidine
CID 163258201
3-methoxy-2-[3-(methoxymethyl)piperidin-1-yl]propanehydrazide
CID 106589687

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3R)-3-(methoxymethyl)piperidin-1-yl]propanoic acid?
The IUPAC name of (2S)-2-[(3R)-3-(methoxymethyl)piperidin-1-yl]propanoic acid (CID 129413747) is (2S)-2-[(3R)-3-(methoxymethyl)piperidin-1-yl]propanoic acid.
What is the SMILES notation for (2S)-2-[(3R)-3-(methoxymethyl)piperidin-1-yl]propanoic acid?
The canonical SMILES for (2S)-2-[(3R)-3-(methoxymethyl)piperidin-1-yl]propanoic acid is COC[C@@H]1CCCN([C@@H](C)C(=O)O)C1.
What is the InChIKey of (2S)-2-[(3R)-3-(methoxymethyl)piperidin-1-yl]propanoic acid?
The InChIKey is NRDAOVUZLFSMRM-DTWKUNHWSA-N. The full InChI is InChI=1S/C10H19NO3/c1-8(10(12)13)11-5-3-4-9(6-11)7-14-2/h8-9H,3-7H2,1-2H3,(H,12,13)/t8-,9+/m0/s1.
What are the key properties of (2S)-2-[(3R)-3-(methoxymethyl)piperidin-1-yl]propanoic acid?
(2S)-2-[(3R)-3-(methoxymethyl)piperidin-1-yl]propanoic acid has a molecular weight of 201.27 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3R)-3-(methoxymethyl)piperidin-1-yl]propanoic acid is sourced from PubChem (CID 129413747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).