(2R,4R)-1-[(4-ethoxyphenyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid

C14H18N2O5 — CID 79000351

IUPAC(2R,4R)-1-[(4-ethoxyphenyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
SMILESCCOc1ccc(NC(=O)N2C[C@H](O)C[C@@H]2C(=O)O)cc1
InChIInChI=1S/C14H18N2O5/c1-2-21-11-5-3-9(4-6-11)15-14(20)16-8-10(17)7-12(16)13(18)19/h3-6,10,12,17H,2,7-8H2,1H3,(H,15,20)(H,18,19)/t10-,12-/m1/s1
InChIKeyYWHXORQWPIFVAK-ZYHUDNBSSA-N
MW294.31 g/mol
LogP1.14
Rot. Bonds4

About (2R,4R)-1-[(4-ethoxyphenyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid

(2R,4R)-1-[(4-ethoxyphenyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 79000351) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is (2R,4R)-1-[(4-ethoxyphenyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R,4R)-1-[(4-ethoxyphenyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID79000351
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC Name(2R,4R)-1-[(4-ethoxyphenyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
SMILESCCOc1ccc(NC(=O)N2C[C@H](O)C[C@@H]2C(=O)O)cc1
InChIInChI=1S/C14H18N2O5/c1-2-21-11-5-3-9(4-6-11)15-14(20)16-8-10(17)7-12(16)13(18)19/h3-6,10,12,17H,2,7-8H2,1H3,(H,15,20)(H,18,19)/t10-,12-/m1/s1
InChIKeyYWHXORQWPIFVAK-ZYHUDNBSSA-N
XLogP1.14
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4S)-1-[(4-ethylphenyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 64712537
(2S)-4-hydroxy-1-(phenylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 61143269
1-[(4-chlorophenyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 43185753
1-[(4-ethoxyphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 23607540
2-N-(4-ethoxyphenyl)-1-N-(2-fluorophenyl)-4-hydroxypyrrolidine-1,2-dicarboxamide
CID 6488163
1-[(2-ethoxyphenyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 61182751
1-[(4-ethoxyphenyl)carbamoyl]piperidine-2-carboxylic acid
CID 61182203
(2R,4S)-1-[(4-ethoxyphenyl)carbamothioyl]-4-hydroxypyrrolidine-2-carboxamide
CID 2620727
1-[(4-ethoxyphenyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102781463
(2R,4R)-1-[[4-(cyanomethyl)phenyl]carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 79000510
(2S,4S)-4-hydroxy-1-[(4-nitrophenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 64714247
2-methylpropyl (2S,4R)-2-[(4-ethoxyphenyl)carbamoyl]-4-hydroxypyrrolidine-1-carboxylate
CID 1233021

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-1-[(4-ethoxyphenyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of (2R,4R)-1-[(4-ethoxyphenyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid (CID 79000351) is (2R,4R)-1-[(4-ethoxyphenyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R,4R)-1-[(4-ethoxyphenyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R,4R)-1-[(4-ethoxyphenyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid is CCOc1ccc(NC(=O)N2C[C@H](O)C[C@@H]2C(=O)O)cc1.
What is the InChIKey of (2R,4R)-1-[(4-ethoxyphenyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is YWHXORQWPIFVAK-ZYHUDNBSSA-N. The full InChI is InChI=1S/C14H18N2O5/c1-2-21-11-5-3-9(4-6-11)15-14(20)16-8-10(17)7-12(16)13(18)19/h3-6,10,12,17H,2,7-8H2,1H3,(H,15,20)(H,18,19)/t10-,12-/m1/s1.
What are the key properties of (2R,4R)-1-[(4-ethoxyphenyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid?
(2R,4R)-1-[(4-ethoxyphenyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 294.31 g/mol, XLogP of 1.14, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-1-[(4-ethoxyphenyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 79000351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).