sodium (2S)-4-hydroxypyrrolidine-2-carboxylate

C5H8NNaO3 — CID 141122108

IUPACsodium (2S)-4-hydroxypyrrolidine-2-carboxylate
SMILESO=C([O-])[C@@H]1CC(O)CN1.[Na+]
InChIInChI=1S/C5H9NO3.Na/c7-3-1-4(5(8)9)6-2-3;/h3-4,6-7H,1-2H2,(H,8,9);/q;+1/p-1/t3?,4-;/m0./s1
InChIKeyMTLQBJAMVOIXBY-LXNQBTANSA-M
MW153.11 g/mol
LogP-5.54
Rot. Bonds1

About sodium (2S)-4-hydroxypyrrolidine-2-carboxylate

sodium (2S)-4-hydroxypyrrolidine-2-carboxylate (PubChem CID 141122108) has the molecular formula C5H8NNaO3 and a molecular weight of 153.11 g/mol. Its IUPAC name is sodium (2S)-4-hydroxypyrrolidine-2-carboxylate.

Molecular Properties

Compound Namesodium (2S)-4-hydroxypyrrolidine-2-carboxylate
PubChem CID141122108
Molecular FormulaC5H8NNaO3
Molecular Weight153.11 g/mol
Exact Mass153.04
IUPAC Namesodium (2S)-4-hydroxypyrrolidine-2-carboxylate
SMILESO=C([O-])[C@@H]1CC(O)CN1.[Na+]
InChIInChI=1S/C5H9NO3.Na/c7-3-1-4(5(8)9)6-2-3;/h3-4,6-7H,1-2H2,(H,8,9);/q;+1/p-1/t3?,4-;/m0./s1
InChIKeyMTLQBJAMVOIXBY-LXNQBTANSA-M
XLogP-5.54
TPSA72.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.11
LogP ≤ 5-5.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

copper bis((2S,4R)-4-hydroxypyrrolidine-2-carboxylate)
CID 25216296
potassium aziridine-2-carboxylate
CID 23673795
1-[(2S)-4-hydroxypyrrolidin-2-yl]ethanone
CID 154429079
(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid;hydrochloride
CID 11205991
(2S)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 68860939
(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid;hydroxysilane
CID 131716757
amino (2S,4R)-4-hydroxypyrrolidine-2-carboxylate
CID 159655489
methyl (2S,4S)-4-hydroxypyrrolidine-2-carboxylate
CID 7021050
4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide
CID 19907192
(2S,4R)-4-hydroxypyrrolidine-2-carbohydrazide
CID 45084250
disodium;4-sulfonatooxypyrrolidine-2-carboxylate
CID 59771661
methyl (2R,4R)-4-hydroxypyrrolidine-2-carboxylate;hydrochloride
CID 12764090

Frequently Asked Questions

What is the IUPAC name of sodium (2S)-4-hydroxypyrrolidine-2-carboxylate?
The IUPAC name of sodium (2S)-4-hydroxypyrrolidine-2-carboxylate (CID 141122108) is sodium (2S)-4-hydroxypyrrolidine-2-carboxylate.
What is the SMILES notation for sodium (2S)-4-hydroxypyrrolidine-2-carboxylate?
The canonical SMILES for sodium (2S)-4-hydroxypyrrolidine-2-carboxylate is O=C([O-])[C@@H]1CC(O)CN1.[Na+].
What is the InChIKey of sodium (2S)-4-hydroxypyrrolidine-2-carboxylate?
The InChIKey is MTLQBJAMVOIXBY-LXNQBTANSA-M. The full InChI is InChI=1S/C5H9NO3.Na/c7-3-1-4(5(8)9)6-2-3;/h3-4,6-7H,1-2H2,(H,8,9);/q;+1/p-1/t3?,4-;/m0./s1.
What are the key properties of sodium (2S)-4-hydroxypyrrolidine-2-carboxylate?
sodium (2S)-4-hydroxypyrrolidine-2-carboxylate has a molecular weight of 153.11 g/mol, XLogP of -5.54, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium (2S)-4-hydroxypyrrolidine-2-carboxylate is sourced from PubChem (CID 141122108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).