ethyl (2R,4R)-4-hydroxypyrrolidin-1-ium-2-carboxylate

C7H14NO3+ — CID 6992701

IUPACethyl (2R,4R)-4-hydroxypyrrolidin-1-ium-2-carboxylate
SMILESCCOC(=O)[C@H]1C[C@@H](O)C[NH2+]1
InChIInChI=1S/C7H13NO3/c1-2-11-7(10)6-3-5(9)4-8-6/h5-6,8-9H,2-4H2,1H3/p+1/t5-,6-/m1/s1
InChIKeyJMHQESARJMGVCZ-PHDIDXHHSA-O
MW160.19 g/mol
LogP-1.75
Rot. Bonds2

About ethyl (2R,4R)-4-hydroxypyrrolidin-1-ium-2-carboxylate

ethyl (2R,4R)-4-hydroxypyrrolidin-1-ium-2-carboxylate (PubChem CID 6992701) has the molecular formula C7H14NO3+ and a molecular weight of 160.19 g/mol. Its IUPAC name is ethyl (2R,4R)-4-hydroxypyrrolidin-1-ium-2-carboxylate.

Molecular Properties

Compound Nameethyl (2R,4R)-4-hydroxypyrrolidin-1-ium-2-carboxylate
PubChem CID6992701
Molecular FormulaC7H14NO3+
Molecular Weight160.19 g/mol
Exact Mass160.10
IUPAC Nameethyl (2R,4R)-4-hydroxypyrrolidin-1-ium-2-carboxylate
SMILESCCOC(=O)[C@H]1C[C@@H](O)C[NH2+]1
InChIInChI=1S/C7H13NO3/c1-2-11-7(10)6-3-5(9)4-8-6/h5-6,8-9H,2-4H2,1H3/p+1/t5-,6-/m1/s1
InChIKeyJMHQESARJMGVCZ-PHDIDXHHSA-O
XLogP-1.75
TPSA63.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.19
LogP ≤ 5-1.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2S,4R)-4-hydroxypyrrolidin-1-ium-2-carboxylate chloride
CID 10866959
(1R,2R,4R)-2-ethoxycarbonyl-4-hydroxycyclopentane-1-carboxylic acid
CID 59619444
ethyl (1S,3S,4R,6S)-3,4-dihydroxybicyclo[4.1.0]heptane-7-carboxylate
CID 98525001
ethyl 2-aminocyclopropane-1-carboxylate
CID 53488445
diethyl cyclopentane-1,3-dicarboxylate
CID 66930159
ethyl 2,4-dihydroxy-6-propylcyclohexane-1-carboxylate
CID 141275271
ethyl 5-hydroxy-2-methylcyclohexane-1-carboxylate
CID 22614095
ethyl (1S,3S,6R)-7-oxabicyclo[4.1.0]heptane-3-carboxylate
CID 57416186
1-O-tert-butyl 2-O-ethyl (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate
CID 12709318
ethyl (3S)-3-hydroxybicyclo[2.2.2]octane-2-carboxylate
CID 146555568
diethyl (2R,3R)-bicyclo[2.2.1]heptane-2,3-dicarboxylate
CID 59722419
ethyl 2-acetylcyclopropane-1-carboxylate
CID 12537328

Frequently Asked Questions

What is the IUPAC name of ethyl (2R,4R)-4-hydroxypyrrolidin-1-ium-2-carboxylate?
The IUPAC name of ethyl (2R,4R)-4-hydroxypyrrolidin-1-ium-2-carboxylate (CID 6992701) is ethyl (2R,4R)-4-hydroxypyrrolidin-1-ium-2-carboxylate.
What is the SMILES notation for ethyl (2R,4R)-4-hydroxypyrrolidin-1-ium-2-carboxylate?
The canonical SMILES for ethyl (2R,4R)-4-hydroxypyrrolidin-1-ium-2-carboxylate is CCOC(=O)[C@H]1C[C@@H](O)C[NH2+]1.
What is the InChIKey of ethyl (2R,4R)-4-hydroxypyrrolidin-1-ium-2-carboxylate?
The InChIKey is JMHQESARJMGVCZ-PHDIDXHHSA-O. The full InChI is InChI=1S/C7H13NO3/c1-2-11-7(10)6-3-5(9)4-8-6/h5-6,8-9H,2-4H2,1H3/p+1/t5-,6-/m1/s1.
What are the key properties of ethyl (2R,4R)-4-hydroxypyrrolidin-1-ium-2-carboxylate?
ethyl (2R,4R)-4-hydroxypyrrolidin-1-ium-2-carboxylate has a molecular weight of 160.19 g/mol, XLogP of -1.75, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R,4R)-4-hydroxypyrrolidin-1-ium-2-carboxylate is sourced from PubChem (CID 6992701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).