(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid;1H-pyrrole

C9H14N2O3 — CID 172843797

IUPAC(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid;1H-pyrrole
SMILESO=C(O)[C@@H]1C[C@@H](O)CN1.c1cc[nH]c1
InChIInChI=1S/C5H9NO3.C4H5N/c7-3-1-4(5(8)9)6-2-3;1-2-4-5-3-1/h3-4,6-7H,1-2H2,(H,8,9);1-5H/t3-,4+;/m1./s1
InChIKeyXDKQRLJQGJOYSX-HJXLNUONSA-N
MW198.22 g/mol
LogP-0.19
Rot. Bonds1

About (2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid;1H-pyrrole

(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid;1H-pyrrole (PubChem CID 172843797) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is (2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid;1H-pyrrole.

Molecular Properties

Compound Name(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid;1H-pyrrole
PubChem CID172843797
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid;1H-pyrrole
SMILESO=C(O)[C@@H]1C[C@@H](O)CN1.c1cc[nH]c1
InChIInChI=1S/C5H9NO3.C4H5N/c7-3-1-4(5(8)9)6-2-3;1-2-4-5-3-1/h3-4,6-7H,1-2H2,(H,8,9);1-5H/t3-,4+;/m1./s1
InChIKeyXDKQRLJQGJOYSX-HJXLNUONSA-N
XLogP-0.19
TPSA85.35 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 5-0.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid;hydrochloride
CID 11205991
(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
2-[bis(2-hydroxyethyl)amino]ethanol;(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid
CID 174421816
(2S)-4-hydroxypyrrolidine-2-carboxylic acid;(2S)-5-hydroxypyrrolidine-2-carboxylic acid
CID 157188043
(2S)-2-amino-3-phenylpropanoic acid;(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid
CID 159230149
4-hydroxypyrrolidine-2-carboxylic acid;2-(trimethylazaniumyl)acetate
CID 19098789
2-aminoacetic acid;(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 66938353
ethyl 4-phenylbutanoate;(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid
CID 68625775
1-[(2S)-4-hydroxypyrrolidin-2-yl]ethanone
CID 154429079
(2S,4R)-4-hydroxypyrrolidine-2-carbohydrazide
CID 45084250

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid;1H-pyrrole?
The IUPAC name of (2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid;1H-pyrrole (CID 172843797) is (2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid;1H-pyrrole.
What is the SMILES notation for (2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid;1H-pyrrole?
The canonical SMILES for (2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid;1H-pyrrole is O=C(O)[C@@H]1C[C@@H](O)CN1.c1cc[nH]c1.
What is the InChIKey of (2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid;1H-pyrrole?
The InChIKey is XDKQRLJQGJOYSX-HJXLNUONSA-N. The full InChI is InChI=1S/C5H9NO3.C4H5N/c7-3-1-4(5(8)9)6-2-3;1-2-4-5-3-1/h3-4,6-7H,1-2H2,(H,8,9);1-5H/t3-,4+;/m1./s1.
What are the key properties of (2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid;1H-pyrrole?
(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid;1H-pyrrole has a molecular weight of 198.22 g/mol, XLogP of -0.19, 1 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid;1H-pyrrole is sourced from PubChem (CID 172843797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).