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

C7H13NO4 — CID 129321532

IUPAC2-[(3R,4R)-3-hydroxy-4-methoxypyrrolidin-1-yl]acetic acid
SMILESCO[C@@H]1CN(CC(=O)O)C[C@H]1O
InChIInChI=1S/C7H13NO4/c1-12-6-3-8(2-5(6)9)4-7(10)11/h5-6,9H,2-4H2,1H3,(H,10,11)/t5-,6-/m1/s1
InChIKeyJWYCYACJZSRGSP-PHDIDXHHSA-N
MW175.18 g/mol
LogP-1.24
Rot. Bonds3

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

2-[(3R,4R)-3-hydroxy-4-methoxypyrrolidin-1-yl]acetic acid (PubChem CID 129321532) has the molecular formula C7H13NO4 and a molecular weight of 175.18 g/mol. Its IUPAC name is 2-[(3R,4R)-3-hydroxy-4-methoxypyrrolidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[(3R,4R)-3-hydroxy-4-methoxypyrrolidin-1-yl]acetic acid
PubChem CID129321532
Molecular FormulaC7H13NO4
Molecular Weight175.18 g/mol
Exact Mass175.08
IUPAC Name2-[(3R,4R)-3-hydroxy-4-methoxypyrrolidin-1-yl]acetic acid
SMILESCO[C@@H]1CN(CC(=O)O)C[C@H]1O
InChIInChI=1S/C7H13NO4/c1-12-6-3-8(2-5(6)9)4-7(10)11/h5-6,9H,2-4H2,1H3,(H,10,11)/t5-,6-/m1/s1
InChIKeyJWYCYACJZSRGSP-PHDIDXHHSA-N
XLogP-1.24
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 5-1.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-((3S)-3-methoxypyrrolidin-1-yl)acetic acid hydrochloride
CID 130636699
2-[(3S)-3-methoxypyrrolidin-1-yl]acetic acid
CID 96551907
(3-Hydroxypyrrolidin-1-yl)acetic acid
CID 19817652
1-Butoxy-3-(1-methylpyrrolidin-1-ium-1-yl)propan-2-ol acetate
CID 21652531
3-Hydroxy-4-methoxypyrrolidine-1-carboxylic acid
CID 22603672
2-[2,3-Dihydroxypropyl(methyl)amino]acetic acid
CID 23088922
(R)-2-(3-Hydroxypyrrolidin-1-yl)acetic acid
CID 29943831
(S)-2-(3-Hydroxypyrrolidin-1-yl)acetic acid
CID 34177184
ethyl (S)-(-)-2-(3-hydroxy-1-pyrrolidinyl)acetate
CID 54107293
Ethyl 2-(3-hydroxypyrrolidin-1-yl)acetate
CID 57175206
(5S)-5-(hydroxymethyl)-3-(2-oxopropyl)-1,3-oxazolidin-2-one
CID 59735371
2-[(2-Hydroxy-3-methoxypropyl)-methylamino]acetic acid
CID 61582256

Frequently Asked Questions

What is the IUPAC name of 2-[(3R,4R)-3-hydroxy-4-methoxypyrrolidin-1-yl]acetic acid?
The IUPAC name of 2-[(3R,4R)-3-hydroxy-4-methoxypyrrolidin-1-yl]acetic acid (CID 129321532) is 2-[(3R,4R)-3-hydroxy-4-methoxypyrrolidin-1-yl]acetic acid.
What is the SMILES notation for 2-[(3R,4R)-3-hydroxy-4-methoxypyrrolidin-1-yl]acetic acid?
The canonical SMILES for 2-[(3R,4R)-3-hydroxy-4-methoxypyrrolidin-1-yl]acetic acid is CO[C@@H]1CN(CC(=O)O)C[C@H]1O.
What is the InChIKey of 2-[(3R,4R)-3-hydroxy-4-methoxypyrrolidin-1-yl]acetic acid?
The InChIKey is JWYCYACJZSRGSP-PHDIDXHHSA-N. The full InChI is InChI=1S/C7H13NO4/c1-12-6-3-8(2-5(6)9)4-7(10)11/h5-6,9H,2-4H2,1H3,(H,10,11)/t5-,6-/m1/s1.
What are the key properties of 2-[(3R,4R)-3-hydroxy-4-methoxypyrrolidin-1-yl]acetic acid?
2-[(3R,4R)-3-hydroxy-4-methoxypyrrolidin-1-yl]acetic acid has a molecular weight of 175.18 g/mol, XLogP of -1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,4R)-3-hydroxy-4-methoxypyrrolidin-1-yl]acetic acid is sourced from PubChem (CID 129321532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).