2-hydroxy-3-(3-hydroxypyrrolidin-1-yl)propanoic acid

C7H13NO4 — CID 130593683

IUPAC2-hydroxy-3-(3-hydroxypyrrolidin-1-yl)propanoic acid
SMILESO=C(O)C(O)CN1CCC(O)C1
InChIInChI=1S/C7H13NO4/c9-5-1-2-8(3-5)4-6(10)7(11)12/h5-6,9-10H,1-4H2,(H,11,12)
InChIKeyXPMUQSXPMNILDQ-UHFFFAOYSA-N
MW175.18 g/mol
LogP-1.50
Rot. Bonds3

About 2-hydroxy-3-(3-hydroxypyrrolidin-1-yl)propanoic acid

2-hydroxy-3-(3-hydroxypyrrolidin-1-yl)propanoic acid (PubChem CID 130593683) has the molecular formula C7H13NO4 and a molecular weight of 175.18 g/mol. Its IUPAC name is 2-hydroxy-3-(3-hydroxypyrrolidin-1-yl)propanoic acid.

Molecular Properties

Compound Name2-hydroxy-3-(3-hydroxypyrrolidin-1-yl)propanoic acid
PubChem CID130593683
Molecular FormulaC7H13NO4
Molecular Weight175.18 g/mol
Exact Mass175.08
IUPAC Name2-hydroxy-3-(3-hydroxypyrrolidin-1-yl)propanoic acid
SMILESO=C(O)C(O)CN1CCC(O)C1
InChIInChI=1S/C7H13NO4/c9-5-1-2-8(3-5)4-6(10)7(11)12/h5-6,9-10H,1-4H2,(H,11,12)
InChIKeyXPMUQSXPMNILDQ-UHFFFAOYSA-N
XLogP-1.50
TPSA81.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 5-1.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3R)-3-hydroxypyrrolidin-1-yl]propane-1,2-diol
CID 103857755
3-(azocan-1-yl)-2-hydroxypropanoic acid
CID 130593606
(3R)-1-(3-cyclopentyl-2-hydroxypropyl)pyrrolidin-3-ol
CID 103160997
(3S)-1-(3-cyclopentyl-2-hydroxypropyl)pyrrolidin-3-ol
CID 103160998
1-(2-hydroxy-3-methoxypropyl)pyrrolidin-3-ol
CID 63930667
2-hydroxy-3-thiomorpholin-4-ylpropanoic acid
CID 130593607
1-(3-hydroxypyrrolidin-1-yl)propan-2-one
CID 23388482
(3R)-1-(2-methylpentyl)pyrrolidin-3-ol
CID 66291662
N,N-diethyl-2-[(3R)-3-hydroxypyrrolidin-1-yl]acetamide
CID 78963518
2-[(3S)-3-hydroxypyrrolidin-1-yl]ethylcarbamic acid
CID 66611497
1-(2-amino-2-phenylethyl)pyrrolidin-3-ol
CID 18939029
(2S)-2-hydroxy-4-[(4-hydroxypiperidine-1-carbonyl)amino]butanoic acid
CID 107838122

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-(3-hydroxypyrrolidin-1-yl)propanoic acid?
The IUPAC name of 2-hydroxy-3-(3-hydroxypyrrolidin-1-yl)propanoic acid (CID 130593683) is 2-hydroxy-3-(3-hydroxypyrrolidin-1-yl)propanoic acid.
What is the SMILES notation for 2-hydroxy-3-(3-hydroxypyrrolidin-1-yl)propanoic acid?
The canonical SMILES for 2-hydroxy-3-(3-hydroxypyrrolidin-1-yl)propanoic acid is O=C(O)C(O)CN1CCC(O)C1.
What is the InChIKey of 2-hydroxy-3-(3-hydroxypyrrolidin-1-yl)propanoic acid?
The InChIKey is XPMUQSXPMNILDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO4/c9-5-1-2-8(3-5)4-6(10)7(11)12/h5-6,9-10H,1-4H2,(H,11,12).
What are the key properties of 2-hydroxy-3-(3-hydroxypyrrolidin-1-yl)propanoic acid?
2-hydroxy-3-(3-hydroxypyrrolidin-1-yl)propanoic acid has a molecular weight of 175.18 g/mol, XLogP of -1.50, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-(3-hydroxypyrrolidin-1-yl)propanoic acid is sourced from PubChem (CID 130593683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).