2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]acetic acid

C8H15NO3 — CID 90739959

IUPAC2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]acetic acid
SMILESCOC[C@@H]1CCCN1CC(=O)O
InChIInChI=1S/C8H15NO3/c1-12-6-7-3-2-4-9(7)5-8(10)11/h7H,2-6H2,1H3,(H,10,11)/t7-/m0/s1
InChIKeyKXISAJQFLBAMKS-ZETCQYMHSA-N
MW173.21 g/mol
LogP0.18
Rot. Bonds4

About 2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]acetic acid

2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]acetic acid (PubChem CID 90739959) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is 2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]acetic acid
PubChem CID90739959
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]acetic acid
SMILESCOC[C@@H]1CCCN1CC(=O)O
InChIInChI=1S/C8H15NO3/c1-12-6-7-3-2-4-9(7)5-8(10)11/h7H,2-6H2,1H3,(H,10,11)/t7-/m0/s1
InChIKeyKXISAJQFLBAMKS-ZETCQYMHSA-N
XLogP0.18
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl 1-methylpyrrolidine-2-carboxylate
CID 529062
(S)-Methyl 1-methylpyrrolidine-2-carboxylate
CID 10920622
Ethyl (S)-(-)-1-Ethyl-2-pyrrolidinecarboxylate
CID 10942897
Ethyl (R)-(+)-1-Ethyl-2-pyrrolidinecarboxylate
CID 44630281
2-(2-(Hydroxymethyl)pyrrolidin-1-yl)acetic acid
CID 53401908
(R)-Methyl 1-methylpyrrolidine-2-carboxylate
CID 20803296
Proline, N-methyl-, butyl ester
CID 527835
Tert-butyl 2-[2-(hydroxymethyl)pyrrolidin-1-yl]propanoate
CID 64689351
(S)-Ethyl 1-methylpyrrolidine-2-carboxylate
CID 784720
2-[Carboxymethyl(oxolan-2-ylmethyl)amino]acetic acid
CID 11042173
Methyl (2S)-1-ethylpyrrolidine-2-carboxylate
CID 40634411
N-methoxymethylproline
CID 89114391

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]acetic acid?
The IUPAC name of 2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]acetic acid (CID 90739959) is 2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]acetic acid.
What is the SMILES notation for 2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]acetic acid?
The canonical SMILES for 2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]acetic acid is COC[C@@H]1CCCN1CC(=O)O.
What is the InChIKey of 2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]acetic acid?
The InChIKey is KXISAJQFLBAMKS-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H15NO3/c1-12-6-7-3-2-4-9(7)5-8(10)11/h7H,2-6H2,1H3,(H,10,11)/t7-/m0/s1.
What are the key properties of 2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]acetic acid?
2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]acetic acid has a molecular weight of 173.21 g/mol, XLogP of 0.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]acetic acid is sourced from PubChem (CID 90739959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).