4-hydroxypyrrolidin-1-ium-2-carboxylate

C5H9NO3 — CID 5238478

IUPAC4-hydroxypyrrolidin-1-ium-2-carboxylate
SMILESO=C([O-])C1CC(O)C[NH2+]1
InChIInChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)
InChIKeyPMMYEEVYMWASQN-UHFFFAOYSA-N
MW131.13 g/mol
LogP-3.57
Rot. Bonds1

About 4-hydroxypyrrolidin-1-ium-2-carboxylate

4-hydroxypyrrolidin-1-ium-2-carboxylate (PubChem CID 5238478) has the molecular formula C5H9NO3 and a molecular weight of 131.13 g/mol. Its IUPAC name is 4-hydroxypyrrolidin-1-ium-2-carboxylate.

Molecular Properties

Compound Name4-hydroxypyrrolidin-1-ium-2-carboxylate
PubChem CID5238478
Molecular FormulaC5H9NO3
Molecular Weight131.13 g/mol
Exact Mass131.06
IUPAC Name4-hydroxypyrrolidin-1-ium-2-carboxylate
SMILESO=C([O-])C1CC(O)C[NH2+]1
InChIInChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)
InChIKeyPMMYEEVYMWASQN-UHFFFAOYSA-N
XLogP-3.57
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.13
LogP ≤ 5-3.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,4S)-4-fluoropyrrolidin-1-ium-2-carboxylate
CID 7023049
(2R,4R)-4-hydroxypyrrolidin-1-ium-2-carboxylic acid
CID 23248560
2-[[(2S,4R)-4-hydroxypyrrolidin-1-ium-2-carbonyl]amino]acetate
CID 11902894
methyl (2S,4R)-4-hydroxypyrrolidin-1-ium-2-carboxylate chloride
CID 10866959
ethyl (2R,4R)-4-hydroxypyrrolidin-1-ium-2-carboxylate
CID 6992701
(2S)-azetidin-1-ium-2-carboxylate
CID 11862171
pyrrolidin-1-ium-2-carboxylate
CID 25246272
sodium 3-hydroxycyclobutane-1-carboxylate
CID 146154009
(3S,4aS,9aR)-2,3,4,4a,9,9a-hexahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxylate
CID 40731102
(4S)-4-[(2S,3R,4S,5S)-3-[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxypyrrolidin-1-ium-2-carboxylate
CID 90657509
(2R,4R)-4-hydroxy-1-[(2S)-pyrrolidin-1-ium-2-carbonyl]pyrrolidine-2-carboxylate
CID 7408098
3,4,5-trihydroxycyclohexane-1-carboxylate
CID 153412779

Frequently Asked Questions

What is the IUPAC name of 4-hydroxypyrrolidin-1-ium-2-carboxylate?
The IUPAC name of 4-hydroxypyrrolidin-1-ium-2-carboxylate (CID 5238478) is 4-hydroxypyrrolidin-1-ium-2-carboxylate.
What is the SMILES notation for 4-hydroxypyrrolidin-1-ium-2-carboxylate?
The canonical SMILES for 4-hydroxypyrrolidin-1-ium-2-carboxylate is O=C([O-])C1CC(O)C[NH2+]1.
What is the InChIKey of 4-hydroxypyrrolidin-1-ium-2-carboxylate?
The InChIKey is PMMYEEVYMWASQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9).
What are the key properties of 4-hydroxypyrrolidin-1-ium-2-carboxylate?
4-hydroxypyrrolidin-1-ium-2-carboxylate has a molecular weight of 131.13 g/mol, XLogP of -3.57, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxypyrrolidin-1-ium-2-carboxylate is sourced from PubChem (CID 5238478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).