(2R)-2-[(3R,4R)-3-hydroxy-4-methoxypyrrolidin-1-yl]butanoic acid

C9H17NO4 — CID 129359488

IUPAC(2R)-2-[(3R,4R)-3-hydroxy-4-methoxypyrrolidin-1-yl]butanoic acid
SMILESCC[C@H](C(=O)O)N1C[C@@H](O)[C@H](OC)C1
InChIInChI=1S/C9H17NO4/c1-3-6(9(12)13)10-4-7(11)8(5-10)14-2/h6-8,11H,3-5H2,1-2H3,(H,12,13)/t6-,7-,8-/m1/s1
InChIKeyZOIJZAICHBJIOM-BWZBUEFSSA-N
MW203.24 g/mol
LogP-0.46
Rot. Bonds4

About (2R)-2-[(3R,4R)-3-hydroxy-4-methoxypyrrolidin-1-yl]butanoic acid

(2R)-2-[(3R,4R)-3-hydroxy-4-methoxypyrrolidin-1-yl]butanoic acid (PubChem CID 129359488) has the molecular formula C9H17NO4 and a molecular weight of 203.24 g/mol. Its IUPAC name is (2R)-2-[(3R,4R)-3-hydroxy-4-methoxypyrrolidin-1-yl]butanoic acid.

Molecular Properties

Compound Name(2R)-2-[(3R,4R)-3-hydroxy-4-methoxypyrrolidin-1-yl]butanoic acid
PubChem CID129359488
Molecular FormulaC9H17NO4
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Name(2R)-2-[(3R,4R)-3-hydroxy-4-methoxypyrrolidin-1-yl]butanoic acid
SMILESCC[C@H](C(=O)O)N1C[C@@H](O)[C@H](OC)C1
InChIInChI=1S/C9H17NO4/c1-3-6(9(12)13)10-4-7(11)8(5-10)14-2/h6-8,11H,3-5H2,1-2H3,(H,12,13)/t6-,7-,8-/m1/s1
InChIKeyZOIJZAICHBJIOM-BWZBUEFSSA-N
XLogP-0.46
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(3R,4S)-3-ethoxy-4-hydroxypyrrolidin-1-yl]butanoic acid
CID 129499596
(2S)-2-[(3R,4S)-3,4-diethoxypyrrolidin-1-yl]butanoic acid
CID 129499649
ethyl 2-(3,4-dimethoxypyrrolidin-1-yl)butanoate
CID 103535264
2-(6-hydroxy-3-azabicyclo[3.1.1]heptan-3-yl)butanoic acid
CID 121202157
2-(3,4-dihydroxypyrrolidin-1-yl)butanamide
CID 106672064
(2R)-2-[(3R,4S)-3-ethyl-4-hydroxypiperidin-1-yl]butanoic acid
CID 129445747
2-(3,4-dimethoxypyrrolidin-1-yl)propanoic acid
CID 103535229
2-[(3S,4S)-3-hydroxy-4-methoxypyrrolidin-1-yl]acetic acid
CID 129499607
(2S)-2-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]butanoic acid
CID 129413724
(2R)-2-[(3R)-3-(methoxymethyl)piperidin-1-yl]butanoic acid
CID 129414278
2-(3,6-dihydro-2H-pyridin-1-yl)butanoic acid
CID 82364065
3-amino-2-(3-methoxy-4-methylpiperidin-1-yl)propanoic acid
CID 102964894

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3R,4R)-3-hydroxy-4-methoxypyrrolidin-1-yl]butanoic acid?
The IUPAC name of (2R)-2-[(3R,4R)-3-hydroxy-4-methoxypyrrolidin-1-yl]butanoic acid (CID 129359488) is (2R)-2-[(3R,4R)-3-hydroxy-4-methoxypyrrolidin-1-yl]butanoic acid.
What is the SMILES notation for (2R)-2-[(3R,4R)-3-hydroxy-4-methoxypyrrolidin-1-yl]butanoic acid?
The canonical SMILES for (2R)-2-[(3R,4R)-3-hydroxy-4-methoxypyrrolidin-1-yl]butanoic acid is CC[C@H](C(=O)O)N1C[C@@H](O)[C@H](OC)C1.
What is the InChIKey of (2R)-2-[(3R,4R)-3-hydroxy-4-methoxypyrrolidin-1-yl]butanoic acid?
The InChIKey is ZOIJZAICHBJIOM-BWZBUEFSSA-N. The full InChI is InChI=1S/C9H17NO4/c1-3-6(9(12)13)10-4-7(11)8(5-10)14-2/h6-8,11H,3-5H2,1-2H3,(H,12,13)/t6-,7-,8-/m1/s1.
What are the key properties of (2R)-2-[(3R,4R)-3-hydroxy-4-methoxypyrrolidin-1-yl]butanoic acid?
(2R)-2-[(3R,4R)-3-hydroxy-4-methoxypyrrolidin-1-yl]butanoic acid has a molecular weight of 203.24 g/mol, XLogP of -0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3R,4R)-3-hydroxy-4-methoxypyrrolidin-1-yl]butanoic acid is sourced from PubChem (CID 129359488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).