(3R,4S)-3,4-dimethoxypyrrolidine-1-carboxylic acid

C7H13NO4 — CID 20745982

IUPAC(3R,4S)-3,4-dimethoxypyrrolidine-1-carboxylic acid
SMILESCO[C@H]1CN(C(=O)O)C[C@H]1OC
InChIInChI=1S/C7H13NO4/c1-11-5-3-8(7(9)10)4-6(5)12-2/h5-6H,3-4H2,1-2H3,(H,9,10)/t5-,6+
InChIKeyPXCNTHIZLLJSKA-OLQVQODUSA-N
MW175.18 g/mol
LogP0.01
Rot. Bonds2

About (3R,4S)-3,4-dimethoxypyrrolidine-1-carboxylic acid

(3R,4S)-3,4-dimethoxypyrrolidine-1-carboxylic acid (PubChem CID 20745982) has the molecular formula C7H13NO4 and a molecular weight of 175.18 g/mol. Its IUPAC name is (3R,4S)-3,4-dimethoxypyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(3R,4S)-3,4-dimethoxypyrrolidine-1-carboxylic acid
PubChem CID20745982
Molecular FormulaC7H13NO4
Molecular Weight175.18 g/mol
Exact Mass175.08
IUPAC Name(3R,4S)-3,4-dimethoxypyrrolidine-1-carboxylic acid
SMILESCO[C@H]1CN(C(=O)O)C[C@H]1OC
InChIInChI=1S/C7H13NO4/c1-11-5-3-8(7(9)10)4-6(5)12-2/h5-6H,3-4H2,1-2H3,(H,9,10)/t5-,6+
InChIKeyPXCNTHIZLLJSKA-OLQVQODUSA-N
XLogP0.01
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dimethoxypyrrolidin-1-yl)ethanone
CID 89259810
(3S,4S)-3-azido-4-methoxypyrrolidine-1-carboxylic acid
CID 137480598
3,4-dimethoxypyrrolidine-1-carbohydrazide
CID 103536753
2-[2-(3,4-dimethoxypyrrolidin-1-yl)-2-oxoethoxy]acetic acid
CID 103531253
(3,4-dimethoxypyrrolidin-1-yl)-piperidin-1-ylmethanone
CID 103532063
tert-butyl (3S,4S)-3,4-dimethoxypyrrolidine-1-carboxylate
CID 57078219
2-amino-1-(3,4-dimethoxypyrrolidin-1-yl)-2-methylpropan-1-one
CID 103533251
(2R)-2-[(3,4-dimethoxypyrrolidine-1-carbonyl)amino]pentanoic acid
CID 107567836
2-[(3,4-dimethoxypyrrolidine-1-carbonyl)amino]pentanoic acid
CID 103536440
2-[(3,4-dimethoxypyrrolidine-1-carbonyl)amino]pentanedioic acid
CID 103536379
6-(3,4-dimethoxypyrrolidine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid
CID 103531258
1-(3,4-dimethoxypyrrolidin-1-yl)-2-(ethylamino)ethanone
CID 103533144

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3,4-dimethoxypyrrolidine-1-carboxylic acid?
The IUPAC name of (3R,4S)-3,4-dimethoxypyrrolidine-1-carboxylic acid (CID 20745982) is (3R,4S)-3,4-dimethoxypyrrolidine-1-carboxylic acid.
What is the SMILES notation for (3R,4S)-3,4-dimethoxypyrrolidine-1-carboxylic acid?
The canonical SMILES for (3R,4S)-3,4-dimethoxypyrrolidine-1-carboxylic acid is CO[C@H]1CN(C(=O)O)C[C@H]1OC.
What is the InChIKey of (3R,4S)-3,4-dimethoxypyrrolidine-1-carboxylic acid?
The InChIKey is PXCNTHIZLLJSKA-OLQVQODUSA-N. The full InChI is InChI=1S/C7H13NO4/c1-11-5-3-8(7(9)10)4-6(5)12-2/h5-6H,3-4H2,1-2H3,(H,9,10)/t5-,6+.
What are the key properties of (3R,4S)-3,4-dimethoxypyrrolidine-1-carboxylic acid?
(3R,4S)-3,4-dimethoxypyrrolidine-1-carboxylic acid has a molecular weight of 175.18 g/mol, XLogP of 0.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3,4-dimethoxypyrrolidine-1-carboxylic acid is sourced from PubChem (CID 20745982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).