(2S,4R)-4-hydroxy-1-[methyl-(3-methylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid

C14H18N2O4 — CID 63842195

IUPAC(2S,4R)-4-hydroxy-1-[methyl-(3-methylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESCc1cccc(N(C)C(=O)N2C[C@H](O)C[C@H]2C(=O)O)c1
InChIInChI=1S/C14H18N2O4/c1-9-4-3-5-10(6-9)15(2)14(20)16-8-11(17)7-12(16)13(18)19/h3-6,11-12,17H,7-8H2,1-2H3,(H,18,19)/t11-,12+/m1/s1
InChIKeyUYBRIVKWRLDJEB-NEPJUHHUSA-N
MW278.31 g/mol
LogP1.07
Rot. Bonds2

About (2S,4R)-4-hydroxy-1-[methyl-(3-methylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid

(2S,4R)-4-hydroxy-1-[methyl-(3-methylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid (PubChem CID 63842195) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is (2S,4R)-4-hydroxy-1-[methyl-(3-methylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4R)-4-hydroxy-1-[methyl-(3-methylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
PubChem CID63842195
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name(2S,4R)-4-hydroxy-1-[methyl-(3-methylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESCc1cccc(N(C)C(=O)N2C[C@H](O)C[C@H]2C(=O)O)c1
InChIInChI=1S/C14H18N2O4/c1-9-4-3-5-10(6-9)15(2)14(20)16-8-11(17)7-12(16)13(18)19/h3-6,11-12,17H,7-8H2,1-2H3,(H,18,19)/t11-,12+/m1/s1
InChIKeyUYBRIVKWRLDJEB-NEPJUHHUSA-N
XLogP1.07
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4R)-1-[(3,5-dimethylphenyl)-methylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 63842028
(2S,4R)-1-[(4-cyanophenyl)-methylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 63843403
(2S,4R)-1-[ethyl-(3-fluorophenyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 63842361
(2R,4R)-4-hydroxy-1-[2-(3-methylphenyl)acetyl]pyrrolidine-2-carboxylic acid
CID 79000861
(2S)-4-hydroxy-1-[2-(3-methylphenyl)acetyl]pyrrolidine-2-carboxylic acid
CID 62390121
(2S,4R)-1-(dimethylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 63841662
4-hydroxy-1-[methyl(2-phenylethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 65487736
4-methyl-1-[methyl-(4-methylphenyl)carbamoyl]piperidine-2-carboxylic acid
CID 114425505
1-(3-chloro-2-methylbenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 107095823
(2S,4R)-1-[(2-fluorophenyl)methyl-methylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 63843043
(2S,4S)-4-hydroxy-1-[methyl(3-methylbutan-2-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 64713740
4-hydroxy-1-[methyl(pyridin-2-ylmethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61203228

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-hydroxy-1-[methyl-(3-methylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4R)-4-hydroxy-1-[methyl-(3-methylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid (CID 63842195) is (2S,4R)-4-hydroxy-1-[methyl-(3-methylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4R)-4-hydroxy-1-[methyl-(3-methylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4R)-4-hydroxy-1-[methyl-(3-methylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid is Cc1cccc(N(C)C(=O)N2C[C@H](O)C[C@H]2C(=O)O)c1.
What is the InChIKey of (2S,4R)-4-hydroxy-1-[methyl-(3-methylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is UYBRIVKWRLDJEB-NEPJUHHUSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-9-4-3-5-10(6-9)15(2)14(20)16-8-11(17)7-12(16)13(18)19/h3-6,11-12,17H,7-8H2,1-2H3,(H,18,19)/t11-,12+/m1/s1.
What are the key properties of (2S,4R)-4-hydroxy-1-[methyl-(3-methylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid?
(2S,4R)-4-hydroxy-1-[methyl-(3-methylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 278.31 g/mol, XLogP of 1.07, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-hydroxy-1-[methyl-(3-methylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 63842195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).