(2R,4R)-4-hydroxy-1-[(2-phenylcyclopropyl)carbamoyl]pyrrolidine-2-carboxylic acid

C15H18N2O4 — CID 79000486

IUPAC(2R,4R)-4-hydroxy-1-[(2-phenylcyclopropyl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1C[C@@H](O)CN1C(=O)NC1CC1c1ccccc1
InChIInChI=1S/C15H18N2O4/c18-10-6-13(14(19)20)17(8-10)15(21)16-12-7-11(12)9-4-2-1-3-5-9/h1-5,10-13,18H,6-8H2,(H,16,21)(H,19,20)/t10-,11?,12?,13-/m1/s1
InChIKeyLGCKIUPQQNBXTK-IKWCTNDRSA-N
MW290.32 g/mol
LogP0.77
Rot. Bonds3

About (2R,4R)-4-hydroxy-1-[(2-phenylcyclopropyl)carbamoyl]pyrrolidine-2-carboxylic acid

(2R,4R)-4-hydroxy-1-[(2-phenylcyclopropyl)carbamoyl]pyrrolidine-2-carboxylic acid (PubChem CID 79000486) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is (2R,4R)-4-hydroxy-1-[(2-phenylcyclopropyl)carbamoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R,4R)-4-hydroxy-1-[(2-phenylcyclopropyl)carbamoyl]pyrrolidine-2-carboxylic acid
PubChem CID79000486
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name(2R,4R)-4-hydroxy-1-[(2-phenylcyclopropyl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1C[C@@H](O)CN1C(=O)NC1CC1c1ccccc1
InChIInChI=1S/C15H18N2O4/c18-10-6-13(14(19)20)17(8-10)15(21)16-12-7-11(12)9-4-2-1-3-5-9/h1-5,10-13,18H,6-8H2,(H,16,21)(H,19,20)/t10-,11?,12?,13-/m1/s1
InChIKeyLGCKIUPQQNBXTK-IKWCTNDRSA-N
XLogP0.77
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4R)-1-(2,3-dihydro-1H-inden-2-ylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 107842979
(2S)-4-hydroxy-1-(phenylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 61143269
(2S,4R)-4-hydroxy-1-[(2-methylcyclopropyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 63844255
(2S)-4-hydroxy-1-[(2-hydroxycyclohexyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 62358912
(2S)-1-(cyclopropylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 61187010
(2S,4S)-1-[(2-ethylphenyl)methylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 64712406
2-methyl-3-[(2-phenylcyclopropyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 63780462
(2S,4R)-1-[(2-ethylphenyl)methylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 64693701
(2S)-4-hydroxy-1-[(2-methylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61196296
4-hydroxy-1-(1-phenylethylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 61188920
(2S)-4-hydroxy-1-[(2-methylphenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 61203885
(2S)-1-[(2-fluorophenyl)methylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 61189505

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-4-hydroxy-1-[(2-phenylcyclopropyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R,4R)-4-hydroxy-1-[(2-phenylcyclopropyl)carbamoyl]pyrrolidine-2-carboxylic acid (CID 79000486) is (2R,4R)-4-hydroxy-1-[(2-phenylcyclopropyl)carbamoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R,4R)-4-hydroxy-1-[(2-phenylcyclopropyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R,4R)-4-hydroxy-1-[(2-phenylcyclopropyl)carbamoyl]pyrrolidine-2-carboxylic acid is O=C(O)[C@H]1C[C@@H](O)CN1C(=O)NC1CC1c1ccccc1.
What is the InChIKey of (2R,4R)-4-hydroxy-1-[(2-phenylcyclopropyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is LGCKIUPQQNBXTK-IKWCTNDRSA-N. The full InChI is InChI=1S/C15H18N2O4/c18-10-6-13(14(19)20)17(8-10)15(21)16-12-7-11(12)9-4-2-1-3-5-9/h1-5,10-13,18H,6-8H2,(H,16,21)(H,19,20)/t10-,11?,12?,13-/m1/s1.
What are the key properties of (2R,4R)-4-hydroxy-1-[(2-phenylcyclopropyl)carbamoyl]pyrrolidine-2-carboxylic acid?
(2R,4R)-4-hydroxy-1-[(2-phenylcyclopropyl)carbamoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 290.32 g/mol, XLogP of 0.77, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-4-hydroxy-1-[(2-phenylcyclopropyl)carbamoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 79000486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).