(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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Related Compounds

(2S)-2-amino-5-(2-aminoimidazol-1-yl)pentanoic Acid
CID 10241837
(S)-2-amino-5-(imidazol-2-ylamino)pentanoic acid
CID 46237587
US9144538, Glutamylamidoethyl
CID 90332294
3-Imidazolyl-L-alanine
CID 11955442
(R)-2-Amino-5-[N''-(1H-imidazol-2-ylmethyl)-guanidino]-pentanoic acid
CID 44331525
(2R)-2-amino-5-[[amino-[2-(1H-imidazol-2-yl)ethylamino]methylidene]amino]pentanoic acid
CID 44331546
2-amino-3-(1H-imidazol-2-yl)propanoic acid
CID 300799
4-(1H-Imidazol-2-YL)butanoic acid
CID 22413245
methyl 3-[(2S,5aS,8aR)-6-(1H-imidazol-2-ylmethyl)-1-methyl-5-oxo-3,4,5a,7,8,8a-hexahydro-2H-pyrrolo[3,2-e][1,4]diazepin-2-yl]propanoate
CID 45360820
2-Acetyl-8-(1H-imidazol-2-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 72885967
1-Ethyl-3-methyl-1H-imidazol-3-ium L-prolinate
CID 25053223
beta-Imidazolyl-(r)-alanine
CID 86310819

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).