(2R)-4-[5-chloro-2-(tetrazol-1-yl)benzoyl]morpholine-2-carboxylic acid

C13H12ClN5O4 — CID 125118625

IUPAC(2R)-4-[5-chloro-2-(tetrazol-1-yl)benzoyl]morpholine-2-carboxylic acid
SMILESO=C(O)[C@H]1CN(C(=O)c2cc(Cl)ccc2-n2cnnn2)CCO1
InChIInChI=1S/C13H12ClN5O4/c14-8-1-2-10(19-7-15-16-17-19)9(5-8)12(20)18-3-4-23-11(6-18)13(21)22/h1-2,5,7,11H,3-4,6H2,(H,21,22)/t11-/m1/s1
InChIKeyKADJNAKSFIPGKH-LLVKDONJSA-N
MW337.72 g/mol
LogP0.24
Rot. Bonds3

About (2R)-4-[5-chloro-2-(tetrazol-1-yl)benzoyl]morpholine-2-carboxylic acid

(2R)-4-[5-chloro-2-(tetrazol-1-yl)benzoyl]morpholine-2-carboxylic acid (PubChem CID 125118625) has the molecular formula C13H12ClN5O4 and a molecular weight of 337.72 g/mol. Its IUPAC name is (2R)-4-[5-chloro-2-(tetrazol-1-yl)benzoyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-4-[5-chloro-2-(tetrazol-1-yl)benzoyl]morpholine-2-carboxylic acid
PubChem CID125118625
Molecular FormulaC13H12ClN5O4
Molecular Weight337.72 g/mol
Exact Mass337.06
IUPAC Name(2R)-4-[5-chloro-2-(tetrazol-1-yl)benzoyl]morpholine-2-carboxylic acid
SMILESO=C(O)[C@H]1CN(C(=O)c2cc(Cl)ccc2-n2cnnn2)CCO1
InChIInChI=1S/C13H12ClN5O4/c14-8-1-2-10(19-7-15-16-17-19)9(5-8)12(20)18-3-4-23-11(6-18)13(21)22/h1-2,5,7,11H,3-4,6H2,(H,21,22)/t11-/m1/s1
InChIKeyKADJNAKSFIPGKH-LLVKDONJSA-N
XLogP0.24
TPSA110.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.72
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[5-chloro-2-(tetrazol-1-yl)benzoyl]piperidine-4-carboxamide
CID 39896622
N-(2-aminoethyl)-1-[5-chloro-2-(tetrazol-1-yl)benzoyl]piperidine-3-carboxamide
CID 119479426
(2R)-4-(5-chloro-2-cyclopentyloxybenzoyl)morpholine-2-carboxylic acid
CID 125118569
[5-chloro-2-(tetrazol-1-yl)phenyl]-(1,4,5-oxadiazepan-4-yl)methanone
CID 167784943
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[5-chloro-2-(tetrazol-1-yl)phenyl]methanone;hydrochloride
CID 120804102
(2,4-dichlorophenyl)-[4-[5-fluoro-2-(tetrazol-1-yl)benzoyl]piperazin-1-yl]methanone
CID 42534190
[(2R)-2-methylmorpholin-4-yl]-[3-methyl-4-(tetrazol-1-yl)phenyl]methanone
CID 94022322
[4-chloro-2-(tetrazol-1-yl)phenyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 28935033
[5-chloro-2-methoxy-4-(tetrazol-1-yl)phenyl]-(2-methylmorpholin-4-yl)methanone
CID 131960710
(2S)-4-[1-(3-chlorophenyl)pyrazole-3-carbonyl]morpholine-2-carboxylic acid
CID 125120451
4-[4-(1,2,4-triazol-4-yl)benzoyl]morpholine-2-carboxylic acid
CID 119357981
(2S)-4-(5-chloro-3-methyl-1-benzofuran-2-carbonyl)morpholine-2-carboxylic acid
CID 129415258

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[5-chloro-2-(tetrazol-1-yl)benzoyl]morpholine-2-carboxylic acid?
The IUPAC name of (2R)-4-[5-chloro-2-(tetrazol-1-yl)benzoyl]morpholine-2-carboxylic acid (CID 125118625) is (2R)-4-[5-chloro-2-(tetrazol-1-yl)benzoyl]morpholine-2-carboxylic acid.
What is the SMILES notation for (2R)-4-[5-chloro-2-(tetrazol-1-yl)benzoyl]morpholine-2-carboxylic acid?
The canonical SMILES for (2R)-4-[5-chloro-2-(tetrazol-1-yl)benzoyl]morpholine-2-carboxylic acid is O=C(O)[C@H]1CN(C(=O)c2cc(Cl)ccc2-n2cnnn2)CCO1.
What is the InChIKey of (2R)-4-[5-chloro-2-(tetrazol-1-yl)benzoyl]morpholine-2-carboxylic acid?
The InChIKey is KADJNAKSFIPGKH-LLVKDONJSA-N. The full InChI is InChI=1S/C13H12ClN5O4/c14-8-1-2-10(19-7-15-16-17-19)9(5-8)12(20)18-3-4-23-11(6-18)13(21)22/h1-2,5,7,11H,3-4,6H2,(H,21,22)/t11-/m1/s1.
What are the key properties of (2R)-4-[5-chloro-2-(tetrazol-1-yl)benzoyl]morpholine-2-carboxylic acid?
(2R)-4-[5-chloro-2-(tetrazol-1-yl)benzoyl]morpholine-2-carboxylic acid has a molecular weight of 337.72 g/mol, XLogP of 0.24, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[5-chloro-2-(tetrazol-1-yl)benzoyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 125118625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).