(2R)-1-(1-methyl-2-morpholin-4-ylbenzimidazole-5-carbonyl)azetidine-2-carboxylic acid

C17H20N4O4 — CID 97275213

IUPAC(2R)-1-(1-methyl-2-morpholin-4-ylbenzimidazole-5-carbonyl)azetidine-2-carboxylic acid
SMILESCn1c(N2CCOCC2)nc2cc(C(=O)N3CC[C@@H]3C(=O)O)ccc21
InChIInChI=1S/C17H20N4O4/c1-19-13-3-2-11(15(22)21-5-4-14(21)16(23)24)10-12(13)18-17(19)20-6-8-25-9-7-20/h2-3,10,14H,4-9H2,1H3,(H,23,24)/t14-/m1/s1
InChIKeyGGUGGLZUQDGKTB-CQSZACIVSA-N
MW344.37 g/mol
LogP0.71
Rot. Bonds3

About (2R)-1-(1-methyl-2-morpholin-4-ylbenzimidazole-5-carbonyl)azetidine-2-carboxylic acid

(2R)-1-(1-methyl-2-morpholin-4-ylbenzimidazole-5-carbonyl)azetidine-2-carboxylic acid (PubChem CID 97275213) has the molecular formula C17H20N4O4 and a molecular weight of 344.37 g/mol. Its IUPAC name is (2R)-1-(1-methyl-2-morpholin-4-ylbenzimidazole-5-carbonyl)azetidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-(1-methyl-2-morpholin-4-ylbenzimidazole-5-carbonyl)azetidine-2-carboxylic acid
PubChem CID97275213
Molecular FormulaC17H20N4O4
Molecular Weight344.37 g/mol
Exact Mass344.15
IUPAC Name(2R)-1-(1-methyl-2-morpholin-4-ylbenzimidazole-5-carbonyl)azetidine-2-carboxylic acid
SMILESCn1c(N2CCOCC2)nc2cc(C(=O)N3CC[C@@H]3C(=O)O)ccc21
InChIInChI=1S/C17H20N4O4/c1-19-13-3-2-11(15(22)21-5-4-14(21)16(23)24)10-12(13)18-17(19)20-6-8-25-9-7-20/h2-3,10,14H,4-9H2,1H3,(H,23,24)/t14-/m1/s1
InChIKeyGGUGGLZUQDGKTB-CQSZACIVSA-N
XLogP0.71
TPSA87.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-1-(1-methyl-2-morpholin-4-ylbenzimidazole-5-carbonyl)pyrrolidine-2-carboxamide
CID 72935230
(1-methyl-2-morpholin-4-ylbenzimidazol-5-yl)-thiomorpholin-4-ylmethanone
CID 72940609
[(1S,6R)-3,9-diazabicyclo[4.2.1]nonan-9-yl]-(1-methyl-2-morpholin-4-ylbenzimidazol-5-yl)methanone
CID 72858986
[(2R)-2-butyl-2,5-dihydropyrrol-1-yl]-(1-methyl-2-morpholin-4-ylbenzimidazol-5-yl)methanone
CID 97209841
1-methyl-2-morpholin-4-yl-N-[(3R)-thiolan-3-yl]benzimidazole-5-carboxamide
CID 97196556
N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-1-methyl-2-morpholin-4-ylbenzimidazole-5-carboxamide
CID 72873356
N-[(4-hydroxyphenyl)methyl]-1-methyl-2-morpholin-4-ylbenzimidazole-5-carboxamide
CID 72912171
3-[[(1-methyl-2-morpholin-4-ylbenzimidazole-5-carbonyl)amino]methyl]benzoic acid
CID 72911503
(3S)-3-[(1-methyl-2-morpholin-4-ylbenzimidazole-5-carbonyl)amino]pyrrolidine-3-carboxylic acid
CID 97275090
N-[(4-fluoropyrrolidin-2-yl)methyl]-1-methyl-2-morpholin-4-ylbenzimidazole-5-carboxamide
CID 156607408
N-[[(2S)-1,4-dioxan-2-yl]methyl]-N,1-dimethyl-2-morpholin-4-ylbenzimidazole-5-carboxamide
CID 97205809
1-methyl-N-[(5-methylpyrazin-2-yl)methyl]-2-morpholin-4-ylbenzimidazole-5-carboxamide
CID 72868991

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(1-methyl-2-morpholin-4-ylbenzimidazole-5-carbonyl)azetidine-2-carboxylic acid?
The IUPAC name of (2R)-1-(1-methyl-2-morpholin-4-ylbenzimidazole-5-carbonyl)azetidine-2-carboxylic acid (CID 97275213) is (2R)-1-(1-methyl-2-morpholin-4-ylbenzimidazole-5-carbonyl)azetidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-(1-methyl-2-morpholin-4-ylbenzimidazole-5-carbonyl)azetidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-(1-methyl-2-morpholin-4-ylbenzimidazole-5-carbonyl)azetidine-2-carboxylic acid is Cn1c(N2CCOCC2)nc2cc(C(=O)N3CC[C@@H]3C(=O)O)ccc21.
What is the InChIKey of (2R)-1-(1-methyl-2-morpholin-4-ylbenzimidazole-5-carbonyl)azetidine-2-carboxylic acid?
The InChIKey is GGUGGLZUQDGKTB-CQSZACIVSA-N. The full InChI is InChI=1S/C17H20N4O4/c1-19-13-3-2-11(15(22)21-5-4-14(21)16(23)24)10-12(13)18-17(19)20-6-8-25-9-7-20/h2-3,10,14H,4-9H2,1H3,(H,23,24)/t14-/m1/s1.
What are the key properties of (2R)-1-(1-methyl-2-morpholin-4-ylbenzimidazole-5-carbonyl)azetidine-2-carboxylic acid?
(2R)-1-(1-methyl-2-morpholin-4-ylbenzimidazole-5-carbonyl)azetidine-2-carboxylic acid has a molecular weight of 344.37 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(1-methyl-2-morpholin-4-ylbenzimidazole-5-carbonyl)azetidine-2-carboxylic acid is sourced from PubChem (CID 97275213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).