(3S)-5-methoxy-1-methylpyrrolidine-3-carboxylic acid

C7H13NO3 — CID 91054882

IUPAC(3S)-5-methoxy-1-methylpyrrolidine-3-carboxylic acid
SMILESCOC1C[C@H](C(=O)O)CN1C
InChIInChI=1S/C7H13NO3/c1-8-4-5(7(9)10)3-6(8)11-2/h5-6H,3-4H2,1-2H3,(H,9,10)/t5-,6?/m0/s1
InChIKeyUCIHPTXBVWWOCL-ZBHICJROSA-N
MW159.18 g/mol
LogP-0.00
Rot. Bonds2

About (3S)-5-methoxy-1-methylpyrrolidine-3-carboxylic acid

(3S)-5-methoxy-1-methylpyrrolidine-3-carboxylic acid (PubChem CID 91054882) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is (3S)-5-methoxy-1-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-5-methoxy-1-methylpyrrolidine-3-carboxylic acid
PubChem CID91054882
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name(3S)-5-methoxy-1-methylpyrrolidine-3-carboxylic acid
SMILESCOC1C[C@H](C(=O)O)CN1C
InChIInChI=1S/C7H13NO3/c1-8-4-5(7(9)10)3-6(8)11-2/h5-6H,3-4H2,1-2H3,(H,9,10)/t5-,6?/m0/s1
InChIKeyUCIHPTXBVWWOCL-ZBHICJROSA-N
XLogP-0.00
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethyl-1-methylpyrrolidine-3-carboxylic acid
CID 20810105
(3S,5S)-5-(3,5-dimethoxyphenyl)-1-methylpyrrolidine-3-carboxylic acid
CID 129462251
(2R,4R)-4-methoxy-1-methylpyrrolidine-2-carboxylic acid;hydrochloride
CID 66986168
(3R,6R)-1,6-dimethylpiperidine-3-carboxylic acid
CID 124547889
(3R,5S)-5-acetyl-1-methylpiperidine-3-carboxylic acid
CID 59778322
(6R)-1,6-dimethylpiperidine-3-carboxylic acid
CID 145074333
3,4,5-trimethoxycyclohexane-1-carboxylic acid
CID 18688040
1-methoxycarbonyl-5-(methylamino)piperidine-3-carboxylic acid
CID 83989684
dimethyl (2S,4S)-1-methylpyrrolidine-2,4-dicarboxylate
CID 58854681
(3S,5R)-5-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid
CID 155971423
1-methyl-6-propan-2-ylpiperidine-3-carboxylic acid
CID 83915215
3,5-bis(methoxycarbonyl)cyclohexane-1-carboxylic acid
CID 23444132

Frequently Asked Questions

What is the IUPAC name of (3S)-5-methoxy-1-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of (3S)-5-methoxy-1-methylpyrrolidine-3-carboxylic acid (CID 91054882) is (3S)-5-methoxy-1-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3S)-5-methoxy-1-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for (3S)-5-methoxy-1-methylpyrrolidine-3-carboxylic acid is COC1C[C@H](C(=O)O)CN1C.
What is the InChIKey of (3S)-5-methoxy-1-methylpyrrolidine-3-carboxylic acid?
The InChIKey is UCIHPTXBVWWOCL-ZBHICJROSA-N. The full InChI is InChI=1S/C7H13NO3/c1-8-4-5(7(9)10)3-6(8)11-2/h5-6H,3-4H2,1-2H3,(H,9,10)/t5-,6?/m0/s1.
What are the key properties of (3S)-5-methoxy-1-methylpyrrolidine-3-carboxylic acid?
(3S)-5-methoxy-1-methylpyrrolidine-3-carboxylic acid has a molecular weight of 159.18 g/mol, XLogP of -0.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-methoxy-1-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 91054882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).