(2S,4R)-4-hydroxy-1-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]pyrrolidine-2-carboxylic acid

C12H18N2O4 — CID 91838505

IUPAC(2S,4R)-4-hydroxy-1-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]pyrrolidine-2-carboxylic acid
SMILESCC(C)c1nc(CN2C[C@H](O)C[C@H]2C(=O)O)co1
InChIInChI=1S/C12H18N2O4/c1-7(2)11-13-8(6-18-11)4-14-5-9(15)3-10(14)12(16)17/h6-7,9-10,15H,3-5H2,1-2H3,(H,16,17)/t9-,10+/m1/s1
InChIKeyYTCAKFUICIRZDC-ZJUUUORDSA-N
MW254.29 g/mol
LogP0.82
Rot. Bonds4

About (2S,4R)-4-hydroxy-1-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]pyrrolidine-2-carboxylic acid

(2S,4R)-4-hydroxy-1-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]pyrrolidine-2-carboxylic acid (PubChem CID 91838505) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is (2S,4R)-4-hydroxy-1-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4R)-4-hydroxy-1-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]pyrrolidine-2-carboxylic acid
PubChem CID91838505
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Name(2S,4R)-4-hydroxy-1-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]pyrrolidine-2-carboxylic acid
SMILESCC(C)c1nc(CN2C[C@H](O)C[C@H]2C(=O)O)co1
InChIInChI=1S/C12H18N2O4/c1-7(2)11-13-8(6-18-11)4-14-5-9(15)3-10(14)12(16)17/h6-7,9-10,15H,3-5H2,1-2H3,(H,16,17)/t9-,10+/m1/s1
InChIKeyYTCAKFUICIRZDC-ZJUUUORDSA-N
XLogP0.82
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S,4R)-4-hydroxy-1-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]pyrrolidine-2-carboxylic acid with MolForge

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Related Compounds

(2S,4R)-4-amino-N-ethyl-1-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]pyrrolidine-2-carboxamide
CID 56700703
(6S)-5-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
CID 125444998
4-hydroxy-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid
CID 114351745
4-hydroxy-1-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]pyrrolidine-2-carboxylic acid
CID 114351775
4-hydroxy-1-[(5-methylfuran-2-yl)methyl]pyrrolidine-2-carboxylic acid
CID 114351529
1-[(4-tert-butylphenyl)methyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 114351284
(2S,4R)-4-hydroxy-1-(methoxymethyl)pyrrolidine-2-carboxylic acid
CID 88652438
4-hydroxy-1-(naphthalen-1-ylmethyl)pyrrolidine-2-carboxylic acid
CID 114351359
methyl 4-hydroxy-1-[(6-methoxy-2-pyridinyl)methyl]pyrrolidine-2-carboxylate
CID 112632824
4-hydroxy-1-[2-oxo-2-(propan-2-ylamino)ethyl]pyrrolidine-2-carboxylic acid
CID 114351482
(2S,4R)-1-[(3,4-difluorophenyl)methyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 67774272
1-[(6-fluoroquinolin-8-yl)methyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 114351327

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-hydroxy-1-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4R)-4-hydroxy-1-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]pyrrolidine-2-carboxylic acid (CID 91838505) is (2S,4R)-4-hydroxy-1-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4R)-4-hydroxy-1-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4R)-4-hydroxy-1-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]pyrrolidine-2-carboxylic acid is CC(C)c1nc(CN2C[C@H](O)C[C@H]2C(=O)O)co1.
What is the InChIKey of (2S,4R)-4-hydroxy-1-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]pyrrolidine-2-carboxylic acid?
The InChIKey is YTCAKFUICIRZDC-ZJUUUORDSA-N. The full InChI is InChI=1S/C12H18N2O4/c1-7(2)11-13-8(6-18-11)4-14-5-9(15)3-10(14)12(16)17/h6-7,9-10,15H,3-5H2,1-2H3,(H,16,17)/t9-,10+/m1/s1.
What are the key properties of (2S,4R)-4-hydroxy-1-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]pyrrolidine-2-carboxylic acid?
(2S,4R)-4-hydroxy-1-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]pyrrolidine-2-carboxylic acid has a molecular weight of 254.29 g/mol, XLogP of 0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-hydroxy-1-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 91838505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).