(2R,4R)-4-hydroxypyrrolidin-1-ium-2-carboxylic acid

C5H10NO3+ — CID 23248560

IUPAC(2R,4R)-4-hydroxypyrrolidin-1-ium-2-carboxylic acid
SMILESO=C(O)[C@H]1C[C@@H](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)/p+1/t3-,4-/m1/s1
InChIKeyPMMYEEVYMWASQN-QWWZWVQMSA-O
MW132.14 g/mol
LogP-2.23
Rot. Bonds1

About (2R,4R)-4-hydroxypyrrolidin-1-ium-2-carboxylic acid

(2R,4R)-4-hydroxypyrrolidin-1-ium-2-carboxylic acid (PubChem CID 23248560) has the molecular formula C5H10NO3+ and a molecular weight of 132.14 g/mol. Its IUPAC name is (2R,4R)-4-hydroxypyrrolidin-1-ium-2-carboxylic acid.

Molecular Properties

Compound Name(2R,4R)-4-hydroxypyrrolidin-1-ium-2-carboxylic acid
PubChem CID23248560
Molecular FormulaC5H10NO3+
Molecular Weight132.14 g/mol
Exact Mass132.07
IUPAC Name(2R,4R)-4-hydroxypyrrolidin-1-ium-2-carboxylic acid
SMILESO=C(O)[C@H]1C[C@@H](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)/p+1/t3-,4-/m1/s1
InChIKeyPMMYEEVYMWASQN-QWWZWVQMSA-O
XLogP-2.23
TPSA74.14 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.14
LogP ≤ 5-2.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-hydroxypyrrolidin-1-ium-2-carboxylate
CID 5238478
methyl (2S,4R)-4-hydroxypyrrolidin-1-ium-2-carboxylate chloride
CID 10866959
ethyl (2R,4R)-4-hydroxypyrrolidin-1-ium-2-carboxylate
CID 6992701
2-[[(2S,4R)-4-hydroxypyrrolidin-1-ium-2-carbonyl]amino]acetate
CID 11902894
pyrrolidin-1-ium-2-carboxylic acid
CID 5231966
(2S,6S)-4-hydroxypiperidin-1-ium-2,6-dicarboxamide
CID 6974238
(2S)-1,2,3,6-tetrahydropyridin-1-ium-2-carboxylic acid chloride
CID 11768890
(1R,2S,4R,5S)-4,5-dihydroxycyclohexane-1,2-dicarboxylic acid
CID 68905410
cis-(1R,2S)-cyclopropane-1,2-dicarboxylic acid
CID 726455
(2R)-cyclobutane-1,2-dicarboxylic acid
CID 135193426
2,3-dihydroxycyclobutane-1-carboxylic acid
CID 174933453
(2R,4S)-1-carbamoyl-4-hydroxypyrrolidine-2-carboxylic acid
CID 2374396

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-4-hydroxypyrrolidin-1-ium-2-carboxylic acid?
The IUPAC name of (2R,4R)-4-hydroxypyrrolidin-1-ium-2-carboxylic acid (CID 23248560) is (2R,4R)-4-hydroxypyrrolidin-1-ium-2-carboxylic acid.
What is the SMILES notation for (2R,4R)-4-hydroxypyrrolidin-1-ium-2-carboxylic acid?
The canonical SMILES for (2R,4R)-4-hydroxypyrrolidin-1-ium-2-carboxylic acid is O=C(O)[C@H]1C[C@@H](O)C[NH2+]1.
What is the InChIKey of (2R,4R)-4-hydroxypyrrolidin-1-ium-2-carboxylic acid?
The InChIKey is PMMYEEVYMWASQN-QWWZWVQMSA-O. 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)/p+1/t3-,4-/m1/s1.
What are the key properties of (2R,4R)-4-hydroxypyrrolidin-1-ium-2-carboxylic acid?
(2R,4R)-4-hydroxypyrrolidin-1-ium-2-carboxylic acid has a molecular weight of 132.14 g/mol, XLogP of -2.23, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-4-hydroxypyrrolidin-1-ium-2-carboxylic acid is sourced from PubChem (CID 23248560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).