(2R)-4-(1-ethylbenzimidazole-5-carbonyl)morpholine-2-carboxylic acid

C15H17N3O4 — CID 124953688

IUPAC(2R)-4-(1-ethylbenzimidazole-5-carbonyl)morpholine-2-carboxylic acid
SMILESCCn1cnc2cc(C(=O)N3CCO[C@@H](C(=O)O)C3)ccc21
InChIInChI=1S/C15H17N3O4/c1-2-17-9-16-11-7-10(3-4-12(11)17)14(19)18-5-6-22-13(8-18)15(20)21/h3-4,7,9,13H,2,5-6,8H2,1H3,(H,20,21)/t13-/m1/s1
InChIKeyDWWYPTWHHCZUEW-CYBMUJFWSA-N
MW303.32 g/mol
LogP0.98
Rot. Bonds3

About (2R)-4-(1-ethylbenzimidazole-5-carbonyl)morpholine-2-carboxylic acid

(2R)-4-(1-ethylbenzimidazole-5-carbonyl)morpholine-2-carboxylic acid (PubChem CID 124953688) has the molecular formula C15H17N3O4 and a molecular weight of 303.32 g/mol. Its IUPAC name is (2R)-4-(1-ethylbenzimidazole-5-carbonyl)morpholine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-4-(1-ethylbenzimidazole-5-carbonyl)morpholine-2-carboxylic acid
PubChem CID124953688
Molecular FormulaC15H17N3O4
Molecular Weight303.32 g/mol
Exact Mass303.12
IUPAC Name(2R)-4-(1-ethylbenzimidazole-5-carbonyl)morpholine-2-carboxylic acid
SMILESCCn1cnc2cc(C(=O)N3CCO[C@@H](C(=O)O)C3)ccc21
InChIInChI=1S/C15H17N3O4/c1-2-17-9-16-11-7-10(3-4-12(11)17)14(19)18-5-6-22-13(8-18)15(20)21/h3-4,7,9,13H,2,5-6,8H2,1H3,(H,20,21)/t13-/m1/s1
InChIKeyDWWYPTWHHCZUEW-CYBMUJFWSA-N
XLogP0.98
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-4-(1-methylbenzotriazole-5-carbonyl)morpholine-2-carboxylic acid
CID 125120375
2-[(3S)-1-(1-ethylbenzimidazole-5-carbonyl)piperidin-3-yl]acetic acid
CID 124985657
4-(3-iodo-4-methylbenzoyl)morpholine-2-carboxylic acid
CID 119239111
4-(4-chloro-3-methylbenzoyl)morpholine-2-carboxylic acid
CID 113265061
2-[(3R)-1-(1-ethylbenzimidazole-5-carbonyl)piperidin-3-yl]-N-(oxan-4-ylmethyl)acetamide
CID 124943780
[2-(ethoxymethyl)morpholin-4-yl]-(1-methylbenzimidazol-5-yl)methanone
CID 136555325
4-[4-(1,2,4-triazol-4-yl)benzoyl]morpholine-2-carboxylic acid
CID 119357981
4-[4-(ethylsulfanylmethyl)benzoyl]morpholine-2-carboxylic acid
CID 119238723
4-[3-methoxy-4-(2-methylpropoxy)benzoyl]morpholine-2-carboxylic acid
CID 119357851
4-(3-methoxy-4-prop-2-enoxybenzoyl)morpholine-2-carboxylic acid
CID 119239104
2-[(3R)-1-(1-ethylbenzimidazole-5-carbonyl)piperidin-3-yl]-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]acetamide
CID 124960963
[4-(1-methylbenzimidazole-5-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 110801207

Frequently Asked Questions

What is the IUPAC name of (2R)-4-(1-ethylbenzimidazole-5-carbonyl)morpholine-2-carboxylic acid?
The IUPAC name of (2R)-4-(1-ethylbenzimidazole-5-carbonyl)morpholine-2-carboxylic acid (CID 124953688) is (2R)-4-(1-ethylbenzimidazole-5-carbonyl)morpholine-2-carboxylic acid.
What is the SMILES notation for (2R)-4-(1-ethylbenzimidazole-5-carbonyl)morpholine-2-carboxylic acid?
The canonical SMILES for (2R)-4-(1-ethylbenzimidazole-5-carbonyl)morpholine-2-carboxylic acid is CCn1cnc2cc(C(=O)N3CCO[C@@H](C(=O)O)C3)ccc21.
What is the InChIKey of (2R)-4-(1-ethylbenzimidazole-5-carbonyl)morpholine-2-carboxylic acid?
The InChIKey is DWWYPTWHHCZUEW-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H17N3O4/c1-2-17-9-16-11-7-10(3-4-12(11)17)14(19)18-5-6-22-13(8-18)15(20)21/h3-4,7,9,13H,2,5-6,8H2,1H3,(H,20,21)/t13-/m1/s1.
What are the key properties of (2R)-4-(1-ethylbenzimidazole-5-carbonyl)morpholine-2-carboxylic acid?
(2R)-4-(1-ethylbenzimidazole-5-carbonyl)morpholine-2-carboxylic acid has a molecular weight of 303.32 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(1-ethylbenzimidazole-5-carbonyl)morpholine-2-carboxylic acid is sourced from PubChem (CID 124953688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).