2-[3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]acetic acid

C7H13NO5 — CID 123606804

IUPAC2-[3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]acetic acid
SMILESO=C(O)CC1NC(CO)C(O)C1O
InChIInChI=1S/C7H13NO5/c9-2-4-7(13)6(12)3(8-4)1-5(10)11/h3-4,6-9,12-13H,1-2H2,(H,10,11)
InChIKeyWKFCXRZUCFGMNT-UHFFFAOYSA-N
MW191.18 g/mol
LogP-2.48
Rot. Bonds3

About 2-[3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]acetic acid

2-[3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]acetic acid (PubChem CID 123606804) has the molecular formula C7H13NO5 and a molecular weight of 191.18 g/mol. Its IUPAC name is 2-[3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]acetic acid
PubChem CID123606804
Molecular FormulaC7H13NO5
Molecular Weight191.18 g/mol
Exact Mass191.08
IUPAC Name2-[3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]acetic acid
SMILESO=C(O)CC1NC(CO)C(O)C1O
InChIInChI=1S/C7H13NO5/c9-2-4-7(13)6(12)3(8-4)1-5(10)11/h3-4,6-9,12-13H,1-2H2,(H,10,11)
InChIKeyWKFCXRZUCFGMNT-UHFFFAOYSA-N
XLogP-2.48
TPSA110.02 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.18
LogP ≤ 5-2.48
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]acetic acid?
The IUPAC name of 2-[3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]acetic acid (CID 123606804) is 2-[3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]acetic acid.
What is the SMILES notation for 2-[3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]acetic acid?
The canonical SMILES for 2-[3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]acetic acid is O=C(O)CC1NC(CO)C(O)C1O.
What is the InChIKey of 2-[3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]acetic acid?
The InChIKey is WKFCXRZUCFGMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO5/c9-2-4-7(13)6(12)3(8-4)1-5(10)11/h3-4,6-9,12-13H,1-2H2,(H,10,11).
What are the key properties of 2-[3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]acetic acid?
2-[3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]acetic acid has a molecular weight of 191.18 g/mol, XLogP of -2.48, 3 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]acetic acid is sourced from PubChem (CID 123606804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).