2-[(3S)-3-methoxypyrrolidin-1-yl]acetic acid

C7H13NO3 — CID 96551907

IUPAC2-[(3S)-3-methoxypyrrolidin-1-yl]acetic acid
SMILESCO[C@H]1CCN(CC(=O)O)C1
InChIInChI=1S/C7H13NO3/c1-11-6-2-3-8(4-6)5-7(9)10/h6H,2-5H2,1H3,(H,9,10)/t6-/m0/s1
InChIKeySCRBWTUNKVHERJ-LURJTMIESA-N
MW159.18 g/mol
LogP-0.21
Rot. Bonds3

About 2-[(3S)-3-methoxypyrrolidin-1-yl]acetic acid

2-[(3S)-3-methoxypyrrolidin-1-yl]acetic acid (PubChem CID 96551907) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is 2-[(3S)-3-methoxypyrrolidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[(3S)-3-methoxypyrrolidin-1-yl]acetic acid
PubChem CID96551907
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name2-[(3S)-3-methoxypyrrolidin-1-yl]acetic acid
SMILESCO[C@H]1CCN(CC(=O)O)C1
InChIInChI=1S/C7H13NO3/c1-11-6-2-3-8(4-6)5-7(9)10/h6H,2-5H2,1H3,(H,9,10)/t6-/m0/s1
InChIKeySCRBWTUNKVHERJ-LURJTMIESA-N
XLogP-0.21
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-methoxypyrrolidin-1-yl]acetic acid?
The IUPAC name of 2-[(3S)-3-methoxypyrrolidin-1-yl]acetic acid (CID 96551907) is 2-[(3S)-3-methoxypyrrolidin-1-yl]acetic acid.
What is the SMILES notation for 2-[(3S)-3-methoxypyrrolidin-1-yl]acetic acid?
The canonical SMILES for 2-[(3S)-3-methoxypyrrolidin-1-yl]acetic acid is CO[C@H]1CCN(CC(=O)O)C1.
What is the InChIKey of 2-[(3S)-3-methoxypyrrolidin-1-yl]acetic acid?
The InChIKey is SCRBWTUNKVHERJ-LURJTMIESA-N. The full InChI is InChI=1S/C7H13NO3/c1-11-6-2-3-8(4-6)5-7(9)10/h6H,2-5H2,1H3,(H,9,10)/t6-/m0/s1.
What are the key properties of 2-[(3S)-3-methoxypyrrolidin-1-yl]acetic acid?
2-[(3S)-3-methoxypyrrolidin-1-yl]acetic acid has a molecular weight of 159.18 g/mol, XLogP of -0.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-methoxypyrrolidin-1-yl]acetic acid is sourced from PubChem (CID 96551907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).