2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]benzoic acid

C13H17NO3 — CID 129496688

IUPAC2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]benzoic acid
SMILESCOC[C@H]1CCCN1c1ccccc1C(=O)O
InChIInChI=1S/C13H17NO3/c1-17-9-10-5-4-8-14(10)12-7-3-2-6-11(12)13(15)16/h2-3,6-7,10H,4-5,8-9H2,1H3,(H,15,16)/t10-/m1/s1
InChIKeyKLVZUZSNCYEQPB-SNVBAGLBSA-N
MW235.28 g/mol
LogP2.00
Rot. Bonds4

About 2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]benzoic acid

2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]benzoic acid (PubChem CID 129496688) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]benzoic acid.

Molecular Properties

Compound Name2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]benzoic acid
PubChem CID129496688
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]benzoic acid
SMILESCOC[C@H]1CCCN1c1ccccc1C(=O)O
InChIInChI=1S/C13H17NO3/c1-17-9-10-5-4-8-14(10)12-7-3-2-6-11(12)13(15)16/h2-3,6-7,10H,4-5,8-9H2,1H3,(H,15,16)/t10-/m1/s1
InChIKeyKLVZUZSNCYEQPB-SNVBAGLBSA-N
XLogP2.00
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(cyanomethyl)pyrrolidin-1-yl]benzoic acid
CID 174846832
2-[2-(2-hydroxyethyl)piperidin-1-yl]benzoic acid
CID 62230001
2-[4-(methoxymethyl)piperidin-1-yl]benzoic acid
CID 63971544
3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylquinoline-6-carboxylic acid
CID 141344774
3-[2-(methoxymethyl)pyrrolidine-1-carbonyl]-2-methylbenzoic acid
CID 167888085
2-[2-(1-hydroxyethyl)pyrrolidin-1-yl]benzoic acid
CID 121201742
(2R)-2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylacetic acid
CID 11172721
6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid
CID 129495333
ethyl 2-[2-(cyanomethyl)pyrrolidin-1-yl]benzoate
CID 118695790
1-[2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]phenyl]propan-1-one
CID 112677416
2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4-methoxybenzoic acid
CID 81305180
(2R)-2-hydroxy-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylpropan-1-one
CID 12714099

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]benzoic acid?
The IUPAC name of 2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]benzoic acid (CID 129496688) is 2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]benzoic acid.
What is the SMILES notation for 2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]benzoic acid?
The canonical SMILES for 2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]benzoic acid is COC[C@H]1CCCN1c1ccccc1C(=O)O.
What is the InChIKey of 2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]benzoic acid?
The InChIKey is KLVZUZSNCYEQPB-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H17NO3/c1-17-9-10-5-4-8-14(10)12-7-3-2-6-11(12)13(15)16/h2-3,6-7,10H,4-5,8-9H2,1H3,(H,15,16)/t10-/m1/s1.
What are the key properties of 2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]benzoic acid?
2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]benzoic acid has a molecular weight of 235.28 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]benzoic acid is sourced from PubChem (CID 129496688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).