(2R,4R,5R)-5-(acetamidomethyl)-4-(1H-imidazol-2-yl)pyrrolidine-2-carboxylic acid

C11H16N4O3 — CID 23384468

IUPAC(2R,4R,5R)-5-(acetamidomethyl)-4-(1H-imidazol-2-yl)pyrrolidine-2-carboxylic acid
SMILESCC(=O)NC[C@@H]1N[C@@H](C(=O)O)C[C@H]1c1ncc[nH]1
InChIInChI=1S/C11H16N4O3/c1-6(16)14-5-9-7(10-12-2-3-13-10)4-8(15-9)11(17)18/h2-3,7-9,15H,4-5H2,1H3,(H,12,13)(H,14,16)(H,17,18)/t7-,8-,9+/m1/s1
InChIKeyBRCYRHJEWURROX-HLTSFMKQSA-N
MW252.27 g/mol
LogP-0.56
Rot. Bonds4

About (2R,4R,5R)-5-(acetamidomethyl)-4-(1H-imidazol-2-yl)pyrrolidine-2-carboxylic acid

(2R,4R,5R)-5-(acetamidomethyl)-4-(1H-imidazol-2-yl)pyrrolidine-2-carboxylic acid (PubChem CID 23384468) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is (2R,4R,5R)-5-(acetamidomethyl)-4-(1H-imidazol-2-yl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R,4R,5R)-5-(acetamidomethyl)-4-(1H-imidazol-2-yl)pyrrolidine-2-carboxylic acid
PubChem CID23384468
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name(2R,4R,5R)-5-(acetamidomethyl)-4-(1H-imidazol-2-yl)pyrrolidine-2-carboxylic acid
SMILESCC(=O)NC[C@@H]1N[C@@H](C(=O)O)C[C@H]1c1ncc[nH]1
InChIInChI=1S/C11H16N4O3/c1-6(16)14-5-9-7(10-12-2-3-13-10)4-8(15-9)11(17)18/h2-3,7-9,15H,4-5H2,1H3,(H,12,13)(H,14,16)(H,17,18)/t7-,8-,9+/m1/s1
InChIKeyBRCYRHJEWURROX-HLTSFMKQSA-N
XLogP-0.56
TPSA107.11 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 5-0.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,4R,5R)-5-(acetamidomethyl)-4-(1H-imidazol-2-yl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R,4R,5R)-5-(acetamidomethyl)-4-(1H-imidazol-2-yl)pyrrolidine-2-carboxylic acid (CID 23384468) is (2R,4R,5R)-5-(acetamidomethyl)-4-(1H-imidazol-2-yl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R,4R,5R)-5-(acetamidomethyl)-4-(1H-imidazol-2-yl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R,4R,5R)-5-(acetamidomethyl)-4-(1H-imidazol-2-yl)pyrrolidine-2-carboxylic acid is CC(=O)NC[C@@H]1N[C@@H](C(=O)O)C[C@H]1c1ncc[nH]1.
What is the InChIKey of (2R,4R,5R)-5-(acetamidomethyl)-4-(1H-imidazol-2-yl)pyrrolidine-2-carboxylic acid?
The InChIKey is BRCYRHJEWURROX-HLTSFMKQSA-N. The full InChI is InChI=1S/C11H16N4O3/c1-6(16)14-5-9-7(10-12-2-3-13-10)4-8(15-9)11(17)18/h2-3,7-9,15H,4-5H2,1H3,(H,12,13)(H,14,16)(H,17,18)/t7-,8-,9+/m1/s1.
What are the key properties of (2R,4R,5R)-5-(acetamidomethyl)-4-(1H-imidazol-2-yl)pyrrolidine-2-carboxylic acid?
(2R,4R,5R)-5-(acetamidomethyl)-4-(1H-imidazol-2-yl)pyrrolidine-2-carboxylic acid has a molecular weight of 252.27 g/mol, XLogP of -0.56, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R,5R)-5-(acetamidomethyl)-4-(1H-imidazol-2-yl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 23384468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).