(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid;hydrochloride

C5H10ClNO3 — CID 11205991

IUPAC(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)[C@@H]1C[C@@H](O)CN1
InChIInChI=1S/C5H9NO3.ClH/c7-3-1-4(5(8)9)6-2-3;/h3-4,6-7H,1-2H2,(H,8,9);1H/t3-,4+;/m1./s1
InChIKeyYEJFFQAGTXBSTI-HJXLNUONSA-N
MW167.59 g/mol
LogP-0.78
Rot. Bonds1

About (2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid;hydrochloride

(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid;hydrochloride (PubChem CID 11205991) has the molecular formula C5H10ClNO3 and a molecular weight of 167.59 g/mol. Its IUPAC name is (2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid;hydrochloride
PubChem CID11205991
Molecular FormulaC5H10ClNO3
Molecular Weight167.59 g/mol
Exact Mass167.03
IUPAC Name(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)[C@@H]1C[C@@H](O)CN1
InChIInChI=1S/C5H9NO3.ClH/c7-3-1-4(5(8)9)6-2-3;/h3-4,6-7H,1-2H2,(H,8,9);1H/t3-,4+;/m1./s1
InChIKeyYEJFFQAGTXBSTI-HJXLNUONSA-N
XLogP-0.78
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.59
LogP ≤ 5-0.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid;hydroxysilane
CID 131716757
2-aminoacetic acid;(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid
CID 67068644
(2S,4S)-4-hydroxypyrrolidine-2-carboxylic acid;2,2,2-trifluoroacetic acid
CID 129315200
(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid;1H-pyrrole
CID 172843797
(2S)-4-hydroxypyrrolidine-2-carboxylic acid;(2S)-5-hydroxypyrrolidine-2-carboxylic acid
CID 157188043
2-[bis(2-hydroxyethyl)amino]ethanol;(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid
CID 174421816
5-hydroxypiperidine-2-carboxylic acid;hydrochloride
CID 50896271
(2S)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 68860939
(2R,5S)-5-hydroxypiperidine-2-carboxylic acid;hydrochloride
CID 146013112
4-hydroxypyrrolidine-2-carboxylic acid;2-(trimethylazaniumyl)acetate
CID 19098789
1-[(2S)-4-hydroxypyrrolidin-2-yl]ethanone
CID 154429079
2-aminoacetic acid;(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 66938353

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid;hydrochloride?
The IUPAC name of (2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid;hydrochloride (CID 11205991) is (2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid;hydrochloride.
What is the SMILES notation for (2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid;hydrochloride?
The canonical SMILES for (2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid;hydrochloride is Cl.O=C(O)[C@@H]1C[C@@H](O)CN1.
What is the InChIKey of (2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid;hydrochloride?
The InChIKey is YEJFFQAGTXBSTI-HJXLNUONSA-N. The full InChI is InChI=1S/C5H9NO3.ClH/c7-3-1-4(5(8)9)6-2-3;/h3-4,6-7H,1-2H2,(H,8,9);1H/t3-,4+;/m1./s1.
What are the key properties of (2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid;hydrochloride?
(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid;hydrochloride has a molecular weight of 167.59 g/mol, XLogP of -0.78, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 11205991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).