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

C10H19NO3 — CID 129359564

IUPAC(2S)-2-[(2S)-2-(methoxymethyl)piperidin-1-yl]propanoic acid
SMILESCOC[C@@H]1CCCCN1[C@@H](C)C(=O)O
InChIInChI=1S/C10H19NO3/c1-8(10(12)13)11-6-4-3-5-9(11)7-14-2/h8-9H,3-7H2,1-2H3,(H,12,13)/t8-,9-/m0/s1
InChIKeyWBRUOTJKXLVJEN-IUCAKERBSA-N
MW201.27 g/mol
LogP0.96
Rot. Bonds4

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

(2S)-2-[(2S)-2-(methoxymethyl)piperidin-1-yl]propanoic acid (PubChem CID 129359564) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is (2S)-2-[(2S)-2-(methoxymethyl)piperidin-1-yl]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[(2S)-2-(methoxymethyl)piperidin-1-yl]propanoic acid
PubChem CID129359564
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name(2S)-2-[(2S)-2-(methoxymethyl)piperidin-1-yl]propanoic acid
SMILESCOC[C@@H]1CCCCN1[C@@H](C)C(=O)O
InChIInChI=1S/C10H19NO3/c1-8(10(12)13)11-6-4-3-5-9(11)7-14-2/h8-9H,3-7H2,1-2H3,(H,12,13)/t8-,9-/m0/s1
InChIKeyWBRUOTJKXLVJEN-IUCAKERBSA-N
XLogP0.96
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 ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-ethylpiperidin-1-yl)propanoic acid
CID 20985444
2-[2-(propylaminomethyl)piperidin-1-yl]propanoic acid
CID 63847846
(2R)-2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylacetic acid
CID 11172721
2-[2-(2-aminoethyl)piperidin-1-yl]-N-(2-methoxyethyl)propanamide
CID 63759350
(2S)-2-[(3R)-3-(methoxymethyl)piperidin-1-yl]propanoic acid
CID 129413747
4-[(2S)-2-(methoxymethyl)piperidin-1-yl]-4-oxobutanoic acid
CID 129359557
2-(2-ethylpiperidin-1-yl)propanoyl chloride
CID 82040582
2-[2-(2-aminoethyl)piperidin-1-yl]-N-(3-methoxypropyl)propanamide
CID 63758968
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(2-methoxyethyl)propanamide
CID 63760320
cyclohexyl-[2-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 110869949
3-[1-(4-methoxybutan-2-yl)piperidin-2-yl]propanoic acid
CID 65062585
1-(1-carboxyethyl)pyrrolidine-2-carboxylic acid
CID 110185971

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2S)-2-(methoxymethyl)piperidin-1-yl]propanoic acid?
The IUPAC name of (2S)-2-[(2S)-2-(methoxymethyl)piperidin-1-yl]propanoic acid (CID 129359564) is (2S)-2-[(2S)-2-(methoxymethyl)piperidin-1-yl]propanoic acid.
What is the SMILES notation for (2S)-2-[(2S)-2-(methoxymethyl)piperidin-1-yl]propanoic acid?
The canonical SMILES for (2S)-2-[(2S)-2-(methoxymethyl)piperidin-1-yl]propanoic acid is COC[C@@H]1CCCCN1[C@@H](C)C(=O)O.
What is the InChIKey of (2S)-2-[(2S)-2-(methoxymethyl)piperidin-1-yl]propanoic acid?
The InChIKey is WBRUOTJKXLVJEN-IUCAKERBSA-N. The full InChI is InChI=1S/C10H19NO3/c1-8(10(12)13)11-6-4-3-5-9(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-[(2S)-2-(methoxymethyl)piperidin-1-yl]propanoic acid?
(2S)-2-[(2S)-2-(methoxymethyl)piperidin-1-yl]propanoic acid has a molecular weight of 201.27 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2S)-2-(methoxymethyl)piperidin-1-yl]propanoic acid is sourced from PubChem (CID 129359564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).