(2S,4R)-4-(dimethylamino)-1-(1H-imidazol-2-ylmethyl)pyrrolidine-2-carboxylic acid

C11H18N4O2 — CID 50974226

IUPAC(2S,4R)-4-(dimethylamino)-1-(1H-imidazol-2-ylmethyl)pyrrolidine-2-carboxylic acid
SMILESCN(C)[C@@H]1C[C@@H](C(=O)O)N(Cc2ncc[nH]2)C1
InChIInChI=1S/C11H18N4O2/c1-14(2)8-5-9(11(16)17)15(6-8)7-10-12-3-4-13-10/h3-4,8-9H,5-7H2,1-2H3,(H,12,13)(H,16,17)/t8-,9+/m1/s1
InChIKeyLSWCKFYIXZJHEX-BDAKNGLRSA-N
MW238.29 g/mol
LogP-0.00
Rot. Bonds4

About (2S,4R)-4-(dimethylamino)-1-(1H-imidazol-2-ylmethyl)pyrrolidine-2-carboxylic acid

(2S,4R)-4-(dimethylamino)-1-(1H-imidazol-2-ylmethyl)pyrrolidine-2-carboxylic acid (PubChem CID 50974226) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is (2S,4R)-4-(dimethylamino)-1-(1H-imidazol-2-ylmethyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4R)-4-(dimethylamino)-1-(1H-imidazol-2-ylmethyl)pyrrolidine-2-carboxylic acid
PubChem CID50974226
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name(2S,4R)-4-(dimethylamino)-1-(1H-imidazol-2-ylmethyl)pyrrolidine-2-carboxylic acid
SMILESCN(C)[C@@H]1C[C@@H](C(=O)O)N(Cc2ncc[nH]2)C1
InChIInChI=1S/C11H18N4O2/c1-14(2)8-5-9(11(16)17)15(6-8)7-10-12-3-4-13-10/h3-4,8-9H,5-7H2,1-2H3,(H,12,13)(H,16,17)/t8-,9+/m1/s1
InChIKeyLSWCKFYIXZJHEX-BDAKNGLRSA-N
XLogP-0.00
TPSA72.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-(dimethylamino)-1-(1H-imidazol-2-ylmethyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4R)-4-(dimethylamino)-1-(1H-imidazol-2-ylmethyl)pyrrolidine-2-carboxylic acid (CID 50974226) is (2S,4R)-4-(dimethylamino)-1-(1H-imidazol-2-ylmethyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4R)-4-(dimethylamino)-1-(1H-imidazol-2-ylmethyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4R)-4-(dimethylamino)-1-(1H-imidazol-2-ylmethyl)pyrrolidine-2-carboxylic acid is CN(C)[C@@H]1C[C@@H](C(=O)O)N(Cc2ncc[nH]2)C1.
What is the InChIKey of (2S,4R)-4-(dimethylamino)-1-(1H-imidazol-2-ylmethyl)pyrrolidine-2-carboxylic acid?
The InChIKey is LSWCKFYIXZJHEX-BDAKNGLRSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-14(2)8-5-9(11(16)17)15(6-8)7-10-12-3-4-13-10/h3-4,8-9H,5-7H2,1-2H3,(H,12,13)(H,16,17)/t8-,9+/m1/s1.
What are the key properties of (2S,4R)-4-(dimethylamino)-1-(1H-imidazol-2-ylmethyl)pyrrolidine-2-carboxylic acid?
(2S,4R)-4-(dimethylamino)-1-(1H-imidazol-2-ylmethyl)pyrrolidine-2-carboxylic acid has a molecular weight of 238.29 g/mol, XLogP of -0.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-(dimethylamino)-1-(1H-imidazol-2-ylmethyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 50974226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).